SCHEMBL7418643

SCHEMBL7418643

C=C(Cl)CNc1ccc2c(c1)CCN2C(C)=O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 6/20 0.56
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 1/20 0.54
TP53 P04637 1/20 0.54
MAPT P10636 1/20 0.54
RAB9A P51151 1/20 0.54
TRIM24 O15164 5/20 0.49
HPGD P15428 2/20 0.49
LMNA P02545 1/20 0.49
PKM P14618 1/20 0.47
IDO1 P14902 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RECQL P46063 1/20 0.46
SYK P43405 1/20 0.46

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
SCHEMBL7419833 0.86 NOTUM (0.54) NOTUMSMN1; SMN2NPC1TP53MAPT
SCHEMBL5781313 0.86 NOTUM (0.57) NOTUMSMN1; SMN2NPC1TP53MAPT
SCHEMBL7424345 0.80 NOTUM (0.50) NOTUMSMN1; SMN2NPC1TP53MAPT
SCHEMBL13002857 0.78 NOTUM (0.65) NOTUMSMN1; SMN2NPC1TP53MAPT
SCHEMBL1948510 0.78 NOTUM (0.64) NOTUMSMN1; SMN2NPC1TP53MAPT
SCHEMBL11682254 0.77 SMN1; SMN2 (0.70) NOTUMSMN1; SMN2NPC1TP53MAPT
SCHEMBL3767593 0.76 SMN1; SMN2 (0.72) NOTUMSMN1; SMN2NPC1TP53MAPT
SCHEMBL14590670 0.75 TP53 (0.60) NOTUMSMN1; SMN2NPC1TP53MAPT
SCHEMBL14148139 0.75 NOTUM (0.60) NOTUMSMN1; SMN2NPC1TP53MAPT
SCHEMBL7424343 0.75 MAPT (0.51) NOTUMSMN1; SMN2NPC1TP53MAPT

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-0656003-A1 CONDENSED INDOLE DERIVATIVES AS 5HT2C AND 5HT2B ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-06-07 EP disclosed
CN-1086819-A Novel compounds having 5-hydroxytryptamine receptor antagonistic activity SMITHKLINE BEECHAM PLC (GB) 1994-05-18 CN disclosed
WO-1994004533-A1 CONDENSED INDOLE DERIVATIVES AS 5HT2C AND 5HT2B ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-03-03 WO disclosed