SCHEMBL7662002

SCHEMBL7662002

CCNCc1ccc(Br)nc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.40
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CCR5 P51681 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 1/20 0.36
DYRK1A Q13627 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
PYCR1 P32322 1/20 0.35
LMNA P02545 2/20 0.35
GRM2 Q14416 1/20 0.35
PARP1 P09874 2/20 0.34
FPR2 P25090 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7304460 0.82 CYP1A2 (0.54) CYP1A2CYP2D6CYP2C19LMNA
SCHEMBL6345478 0.80 CYP11B1 (0.42) CYP11B1DYRK1ACLK4GRM2PARP1
SCHEMBL17888393 0.78 ALDH1A1 (0.43) ALDH1A1NPSR1TP53POLBTDP1
SCHEMBL6047215 0.78 KDM1A (0.49) ALDH1A1TP53POLBTDP1CYP2C19
SCHEMBL7995688 0.78 CYP11B1 (0.38) CYP11B1POLBTDP1CYP1A2CYP2D6
SCHEMBL23642329 0.78 CD274 (0.48) CYP11B1ALDH1A1NPSR1LMNAFPR2
SCHEMBL9511528 0.78 MC4R (0.45) CYP11B1POLBCYP1A2CYP2D6CYP2C19
SCHEMBL1874677 0.78 SMN1; SMN2 (0.46) CYP11B1ALDH1A1TP53POLBTDP1
SCHEMBL103374 0.78 L3MBTL1 (0.50) ALDH1A1
SCHEMBL29487186 0.78 L3MBTL1 (0.50) ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6407248-B1 INSECTICIDES, MITICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-06-18 US disclosed
CN-1083432-C Alpha-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-04-24 CN disclosed
EP-0509559-B1 Alpha-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-10-04 EP disclosed
US-6124297-A COMBATTING INSECTS OR MITES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-09-26 US disclosed
US-5935981-A INSECTICIDAL/MITICIDAL ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-08-10 US disclosed
US-5849768-A α-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-15 US disclosed
EP-0529680-B1 Intermediates, their production and their use for preparing alpha-unsaturated amines TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-05-13 EP disclosed
CN-1036649-C Alpha-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-12-10 CN disclosed
CN-1027447-C Insecticidal/acaricidal composition containing alpha-unsaturated amine TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-01-18 CN disclosed
CN-1093083-A The method for preparing α-unsaturated amine or its salt TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-10-05 CN disclosed
CN-1091737-A The method for preparing amine compound or its salt TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-09-07 CN disclosed
EP-0302389-B1 Alpha-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1993-12-22 EP disclosed
US-5214152-A Insecticides, miticides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-05-25 US disclosed
EP-0529680-A2 Intermediates, their production and their use for preparing alpha-unsaturated amines TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-03-03 EP disclosed
US-5175301-A Insecticide, miticide, pesticide TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-29 US disclosed
EP-0509559-A2 Alpha-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-10-21 EP disclosed
CN-1031079-A Alpha-unsaturated amines, process for their production and their use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1989-02-15 CN disclosed
EP-0302389-A2 Alpha-unsaturated amines, their production and use Takeda Chemical Industries, Ltd. (JP) 1989-02-08 EP disclosed