SCHEMBL7419833

SCHEMBL7419833

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

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.54
MAPT P10636 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NPC1 O15118 1/20 0.53
TP53 P04637 1/20 0.53
RAB9A P51151 1/20 0.53
TRIM24 O15164 4/20 0.48
LMNA P02545 2/20 0.48
HPGD P15428 1/20 0.48
PKM P14618 1/20 0.47
IDO1 P14902 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
SCHEMBL7418643 0.86 NOTUM (0.56) NOTUMMAPTSMN1; SMN2NPC1TP53
SCHEMBL7424345 0.86 NOTUM (0.50) NOTUMMAPTSMN1; SMN2NPC1TP53
SCHEMBL5781313 0.85 NOTUM (0.57) NOTUMMAPTSMN1; SMN2NPC1TP53
SCHEMBL1948510 0.80 NOTUM (0.64) NOTUMMAPTSMN1; SMN2NPC1TP53
SCHEMBL13002857 0.77 NOTUM (0.65) NOTUMMAPTSMN1; SMN2NPC1TP53
SCHEMBL11682254 0.76 SMN1; SMN2 (0.70) NOTUMMAPTSMN1; SMN2NPC1TP53
SCHEMBL3767593 0.75 SMN1; SMN2 (0.72) NOTUMMAPTSMN1; SMN2NPC1TP53
SCHEMBL14590670 0.74 TP53 (0.60) NOTUMMAPTSMN1; SMN2NPC1TP53
SCHEMBL14148139 0.74 NOTUM (0.60) NOTUMMAPTSMN1; SMN2NPC1TP53
SCHEMBL7424343 0.74 MAPT (0.51) NOTUMMAPTSMN1; SMN2NPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994004533-A1 CONDENSED INDOLE DERIVATIVES AS 5HT2C AND 5HT2B ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-03-03 WO disclosed