SCHEMBL7723633

SCHEMBL7723633

COc1ccc(-c2cc(C(=O)NCc3ccccn3)c(=O)n(CC3CC3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.53
ADORA1 P30542 1/20 0.53
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
HPGD P15428 3/20 0.49
GSK3B P49841 1/20 0.49
GPR39 O43194 1/20 0.47
PDE10A Q9Y233 2/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CRHR1 P34998 1/20 0.46
TP53 P04637 2/20 0.46
LMNA P02545 2/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 2/20 0.45
GAA P10253 1/20 0.45
USP2 O75604 1/20 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
SCHEMBL7723678 0.97 ADORA2A (0.51) ADORA2AADORA1KMT2AMEN1HPGD
SCHEMBL7724827 0.88 TACR3 (0.52) KMT2AMEN1ALDH1A1KDM4ECRHR1
SCHEMBL7730191 0.85 ADORA2A (0.59) ADORA2AADORA1KMT2AMEN1HPGD
SCHEMBL7723691 0.84 CRHR1 (0.49) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL7723523 0.84 CRHR1 (0.51) ALDH1A1KDM4ECRHR1LMNARAB9A
SCHEMBL7724857 0.84 L3MBTL1 (0.50) KMT2AMEN1ALDH1A1KDM4ETP53
SCHEMBL7730164 0.83 ADORA2A (0.54) ADORA2AADORA1KMT2AMEN1HPGD
SCHEMBL7727026 0.83 CRHR1 (0.50) HPGDALDH1A1KDM4ESMN1; SMN2CRHR1
SCHEMBL6255977 0.82 KMT2A (0.51) ADORA2AADORA1KMT2AMEN1HPGD
SCHEMBL7726406 0.82 CYP3A4 (0.49) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6403586-B1 Pyridazine derivatives and drugs containing the same as the active ingredient KOWA CO., LTD. (JP) 2002-06-11 US disclosed
EP-1061077-A1 NOVEL PYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT Kowa Co., Ltd. (JP) 2000-12-20 EP disclosed