SCHEMBL12420935

SCHEMBL12420935

O=CCC(c1ccccc1)n1cnc2cc(NC(=O)c3cccnc3Sc3ccccc3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.43
KMT2A Q03164 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 4/20 0.39
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
LMNA P02545 4/20 0.39
CRHBP P24387 2/20 0.39
CRHR2 Q13324 2/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL2297391 0.90 ATM (0.44) ATMKMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL12420299 0.83 FADS1 (0.44) KMT2ASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL12420191 0.83 KMT2A (0.50) KMT2AALDH1A1KDM4E
SCHEMBL12421965 0.83 KMT2A (0.46) ATMKMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL2291129 0.83 ATM (0.44) ATMKMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL12420928 0.82 NPC1 (0.41) KMT2ASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL5296372 0.80 LMNA (0.48) ATMKMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL12420933 0.80 MEN1 (0.44) KMT2ASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL12420930 0.79 NR1I2 (0.45) KMT2ASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL12421967 0.79 NR1I2 (0.45) KMT2ASMN1; SMN2ALDH1A1NPC1RAB9A

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-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US disclosed