SCHEMBL13650924

SCHEMBL13650924

N=c1sc2c(n1CC(=O)c1ccc(Br)cc1)CCCC2

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.77
▸ ALDH1A1 P00352 3/20 0.77
▸ CYP1A1 P04798 2/20 0.77
▸ CYP1B1 Q16678 2/20 0.77
▸ SMN1; SMN2 Q16637 2/20 0.77
▸ TP53 P04637 2/20 0.77
▸ KMT2A Q03164 2/20 0.77
▸ CYP3A4 P08684 2/20 0.77
▸ MAPK1 P28482 2/20 0.77
▸ MEN1 O00255 1/20 0.77
▸ ALOX15 P16050 1/20 0.77
▸ TSHR P16473 1/20 0.77
▸ HSD17B10 Q99714 1/20 0.77
▸ HDAC6 Q9UBN7 1/20 0.77
▸ RAB9A P51151 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ CXCR3 P49682 2/20 0.44
▸ THRB P10828 1/20 0.44
▸ ATM Q13315 1/20 0.42
▸ PARP1 P09874 1/20 0.40

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
SCHEMBL158627 0.87 KMT2A (1.00) MAPTALDH1A1CYP1A1CYP1B1SMN1; SMN2
SCHEMBL5553156 0.87 MAPT (0.77) MAPTALDH1A1CYP1A1CYP1B1SMN1; SMN2
SCHEMBL4942836 0.87 ALDH1A1 (0.77) MAPTALDH1A1CYP1A1CYP1B1SMN1; SMN2
SCHEMBL4941971 0.87 ALDH1A1 (0.77) MAPTALDH1A1CYP1A1CYP1B1SMN1; SMN2
Bromide SCHEMBL3622970 0.86 CYP1A1 (1.00) MAPTALDH1A1CYP1A1CYP1B1SMN1; SMN2
SCHEMBL22761718 0.85 ALDH1A1 (0.64) MAPTALDH1A1CYP1A1CYP1B1SMN1; SMN2
Bromide SCHEMBL22749605 0.85 KMT2A (0.95) MAPTALDH1A1CYP1A1CYP1B1SMN1; SMN2
SCHEMBL14113975 0.85 SMN1; SMN2 (0.74) MAPTALDH1A1CYP1A1CYP1B1SMN1; SMN2
Bromide SCHEMBL22749445 0.84 CYP1A1 (0.65) MAPTALDH1A1CYP1A1CYP1B1SMN1; SMN2
Bromide SCHEMBL29440254 0.84 CYP1A1 (0.65) MAPTALDH1A1CYP1A1CYP1B1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7601846-B2 Compounds having activity as inhibitors of apoptosis THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-10-13 — — US disclosed
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