SCHEMBL6653375

SCHEMBL6653375

CC(C)(C)N(Cc1cccc(CN2C=C3CC(O)=CC(NC(=O)c4ccc(Cl)s4)=C3C2=O)c1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.37
ACKR3 P25106 1/20 0.33
MEN1 O00255 2/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL5779487 0.73 F10 (0.45) F10ACKR3MEN1NPC1RAB9A
SCHEMBL5779884 0.71 F10 (0.40) F10ACKR3MEN1NPC1RAB9A
SCHEMBL5783337 0.71 F10 (0.43) F10ACKR3MEN1NPC1RAB9A
SCHEMBL5784009 0.63 F10 (0.39) F10MEN1NPC1RAB9AKMT2A
SCHEMBL5782214 0.63 F10 (0.70) F10ACKR3MEN1KMT2AALDH1A1
SCHEMBL5780091 0.60 F10 (0.48) F10ACKR3MEN1KMT2AALDH1A1
SCHEMBL3155079 0.59 F10 (0.70) F10
SCHEMBL6218284 0.59 GAA (0.47) F10MEN1NPC1RAB9AKMT2A
SCHEMBL5343307 0.59 MEN1 (0.53) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL186800 0.59 MEN1 (0.53) MEN1NPC1RAB9AKMT2AALDH1A1

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
EP-1408962-A1 SUBSTITUTED ISOINDOLES AND THE USE THEREOF Bayer HealthCare AG (DE) 2004-04-21 EP disclosed
WO-2003007942-A1 SUBSTITUTED ISOINDOLES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2003-01-30 WO disclosed