SCHEMBL6976595

SCHEMBL6976595

CN(C)C=CC(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.64
NPC1 O15118 6/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
MAPT P10636 7/20 0.59
SMN1; SMN2 Q16637 4/20 0.58
KMT2A Q03164 2/20 0.58
NFKB1 P19838 2/20 0.58
NFKB2 Q00653 2/20 0.58
RELA Q04206 2/20 0.58
MEN1 O00255 1/20 0.58
GAA P10253 1/20 0.58
MAOA P21397 2/20 0.57
MAOB P27338 1/20 0.57
ATM Q13315 2/20 0.56
ALDH1A1 P00352 3/20 0.54
MAPK1 P28482 1/20 0.54
GPR55 Q9Y2T6 1/20 0.53
ALOX12 P18054 2/20 0.53
LMNA P02545 3/20 0.52
KDM4E B2RXH2 1/20 0.52

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
SCHEMBL30051479 1.00 RAB9A (0.64) RAB9ANPC1L3MBTL1MAPTSMN1; SMN2
SCHEMBL6976592 1.00 RAB9A (0.64) RAB9ANPC1L3MBTL1MAPTSMN1; SMN2
SCHEMBL20472795 0.91 MAOB (0.60) RAB9ANPC1L3MBTL1MAPTSMN1; SMN2
SCHEMBL11095416 0.80 MAPT (0.68) RAB9ANPC1L3MBTL1MAPTSMN1; SMN2
SCHEMBL11095417 0.80 MAPT (0.68) RAB9ANPC1L3MBTL1MAPTSMN1; SMN2
SCHEMBL31322028 0.80 MAPT (0.68) RAB9ANPC1L3MBTL1MAPTSMN1; SMN2
SCHEMBL10728217 0.79 ALDH1A1 (0.62) RAB9ANPC1L3MBTL1MAPTSMN1; SMN2
SCHEMBL28340400 0.78 MAPT (0.62) RAB9ANPC1L3MBTL1MAPTSMN1; SMN2
SCHEMBL31293615 0.78 NPC1 (1.00) RAB9ANPC1L3MBTL1MAPTSMN1; SMN2
SCHEMBL14601553 0.78 ALDH1A1 (0.63) RAB9ANPC1L3MBTL1MAPTSMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0862560-B1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 2003-04-02 EP disclosed
US-6235746-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATIVE AGENT CELLTECH THERAPEUTICS, LIMITED (GB) 2001-05-22 US disclosed
US-5958935-A Substituted 2-anilinopyrimidines useful as protein kinase inhibitors CELLTECH THERAPEUTICS LIMITED (GB) 1999-09-28 US disclosed
EP-0862560-A1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1998-09-09 EP disclosed
WO-1997019065-A1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1997-05-29 WO disclosed