SCHEMBL7671966

SCHEMBL7671966

O=C1c2ccccc2C(=O)N1Cc1ccc(Br)nc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
KMT2A Q03164 3/20 0.49
PKM P14618 2/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TYR P14679 1/20 0.47
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NAMPT P43490 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP1B1 Q16678 2/20 0.45

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
SCHEMBL12184819 0.81 CASP3 (0.56) CASP3HDAC1HDAC7CA12CA1
SCHEMBL770153 0.81 CASP3 (0.54) CASP3HDAC1HDAC7CA12CA1
SCHEMBL8299351 0.80 KDM4E (0.59) CASP3CA12CA1CA2CA9
SCHEMBL31599260 0.78 CHRM5 (0.68) CASP3HDAC1HDAC7CA12CA1
SCHEMBL540079 0.78 CHRM5 (0.68) CASP3HDAC1HDAC7CA12CA1
SCHEMBL12491721 0.77 HDAC1 (0.47) CASP3HDAC1HDAC7CA12CA1
SCHEMBL21528071 0.77 CASP3 (0.57) CASP3HDAC1HDAC7CA12CA1
SCHEMBL16635299 0.76 KMT2A (0.51) CASP3HDAC1HDAC7CA12CA1
SCHEMBL19835519 0.76 CASP3 (0.49) CASP3HDAC1HDAC7CA12CA1
SCHEMBL3238951 0.74 CASP3 (0.62) CASP3HDAC1HDAC7CA12CA1

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