SCHEMBL13680523

SCHEMBL13680523

CNC(=O)Nc1ccc(-c2nc(C)cs2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.51
POLB P06746 4/20 0.51
NPC1 O15118 3/20 0.50
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CDK5 Q00535 1/20 0.46
CDK5R1 Q15078 1/20 0.46
GAA P10253 1/20 0.46
PPARA Q07869 1/20 0.45
HPGD P15428 2/20 0.44
TDP1 Q9NUW8 2/20 0.43
MAPT P10636 4/20 0.43
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL13680522 0.85 RAB9A (0.55) RAB9APOLBNPC1ALDH1A1MEN1
SCHEMBL13680537 0.84 KIF11 (0.54) RAB9APOLBNPC1ALDH1A1MEN1
SCHEMBL13680489 0.82 SMN1; SMN2 (0.47) RAB9APOLBNPC1ALDH1A1MEN1
SCHEMBL13680476 0.81 TSHR (0.47) RAB9APOLBNPC1ALDH1A1MEN1
SCHEMBL13680527 0.79 RAB9A (0.66) RAB9APOLBNPC1ALDH1A1MEN1
SCHEMBL13680574 0.78 RAB9A (0.49) RAB9APOLBNPC1ALDH1A1MEN1
SCHEMBL13680741 0.78 KIF11 (0.43) RAB9APOLBNPC1ALDH1A1MEN1
SCHEMBL13680936 0.77 TP53 (0.46) POLBMEN1KMT2AMAPTLMNA
SCHEMBL28874178 0.77 RAB9A (0.41) RAB9APOLBNPC1MEN1KMT2A
SCHEMBL8198560 0.77 CYP3A4 (0.60) RAB9APOLBNPC1ALDH1A1MEN1

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-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed