SCHEMBL5227063

SCHEMBL5227063

COc1ccc(-c2cc(C(=O)N3CCOCC3)nnc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.63
NPC1 O15118 8/20 0.63
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
ALDH1A1 P00352 3/20 0.53
PTGS2 P35354 3/20 0.50
MAPT P10636 2/20 0.49
POLB P06746 2/20 0.49
FKBP1A P62942 1/20 0.49
HPGD P15428 3/20 0.48
KDM4E B2RXH2 2/20 0.48
HSD17B10 Q99714 2/20 0.48
GAA P10253 1/20 0.48
USP2 O75604 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TP53 P04637 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL5224281 0.87 PTGS2 (0.57) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL5223497 0.78 SMN1; SMN2 (0.54) ALDH1A1MAPTHPGDKDM4EGAA
SCHEMBL5227038 0.77 ATR (0.51) RAB9ANPC1ALDH1A1MAPTHPGD
SCHEMBL4580434 0.73 CCNC (0.71) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL9548091 0.73 ALDH1A1 (0.77) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL9792247 0.72 HPGD (0.79) RAB9AMEN1KMT2AALDH1A1MAPT
SCHEMBL16489344 0.71 KMT2A (0.58) RAB9ANPC1MEN1KMT2A
Hydrochloric Acid SCHEMBL16470880 0.71 KMT2A (0.57) RAB9ANPC1MEN1KMT2A
SCHEMBL18889284 0.69 RIPK1 (0.75) RAB9ANPC1MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL5363354 0.68 PTGS2 (0.60) RAB9ANPC1MEN1KMT2AALDH1A1

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 3 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 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