SCHEMBL7670872

SCHEMBL7670872

S=C=NCc1cnc(Cl)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 4/20 0.36
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TRPA1 O75762 2/20 0.35
CYP3A4 P08684 1/20 0.35
MIF P14174 1/20 0.35
HPGD P15428 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
SLC6A3 Q01959 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL7550991 0.77 CYP1A2 (0.46) CYP1A2CYP2C9CYP2C19KMT2AMEN1
SCHEMBL331320 0.70 MIF (0.48) ALDH1A1TRPA1CYP3A4MIFHPGD
SCHEMBL18641539 0.69 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19KMT2AMEN1
SCHEMBL335264 0.68
SCHEMBL13221313 0.66
Hydrochloric Acid SCHEMBL3117520 0.66
SCHEMBL464607 0.66
SCHEMBL155863 0.66
SCHEMBL2088409 0.66
SCHEMBL281998 0.66

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 11 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
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
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
EP-0302389-A2 Alpha-unsaturated amines, their production and use Takeda Chemical Industries, Ltd. (JP) 1989-02-08 EP disclosed