SCHEMBL5224317

SCHEMBL5224317

COc1ccc(-c2cc(Oc3ccccc3C#N)nnc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
GAA P10253 1/20 0.57
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
CNR1 P21554 2/20 0.43
LRRK2 Q5S007 1/20 0.42
CNR2 P34972 1/20 0.42
AR P10275 2/20 0.41
HTR1A P08908 2/20 0.41
HTR7 P34969 2/20 0.41
SCN9A Q15858 1/20 0.41
ADORA1 P30542 3/20 0.41
ADORA2A P29274 2/20 0.41
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL5223318 0.80 KDM1A (0.48) NPC1RAB9ACNR1CNR2ADORA1
SCHEMBL5223322 0.79 BTK (0.50) NPC1RAB9AMAPTALDH1A1
SCHEMBL5226722 0.79 KMT2A (0.43) NPC1RAB9AMEN1MAPTKMT2A
SCHEMBL5225138 0.79 MEN1 (0.43) POLBNPC1RAB9ACNR1CNR2
SCHEMBL5227456 0.78 MAPT (0.40) POLBGAANPC1RAB9AMEN1
SCHEMBL5224063 0.78 SOAT1 (0.42) POLBGAANPC1RAB9AMEN1
SCHEMBL5226799 0.77 SYK (0.44) POLBGAAMAPTKMT2AALDH1A1
SCHEMBL5224304 0.76 ADORA1 (0.53) GAANPC1RAB9ACNR1ADORA1
SCHEMBL5221631 0.76 SYK (0.42) POLBGAANPC1RAB9AMEN1
SCHEMBL5223501 0.76 TRPA1 (0.44) POLBGAANPC1RAB9AMAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1300399-B1 PHENYLPYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME KOWA CO (JP) 2007-08-22 EP claimed
US-6664256-B1 Interleukin- 1 beta inhibitors KOWA CO., LTD. (JP) 2003-12-16 US claimed
EP-1300399-A1 PHENYLPYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME Kowa Co., Ltd. (JP) 2003-04-09 EP claimed
EP-1300399-B1 PHENYLPYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME KOWA CO (JP) 2007-08-22 EP disclosed
US-6664256-B1 Interleukin- 1 beta inhibitors KOWA CO., LTD. (JP) 2003-12-16 US disclosed
EP-1300399-A1 PHENYLPYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME Kowa Co., Ltd. (JP) 2003-04-09 EP disclosed