SCHEMBL5296372

SCHEMBL5296372

CSc1ncccc1C(=O)Nc1ccc2c(c1)ncn2C(CC(=O)O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
ATM Q13315 2/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 5/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PKM P14618 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
SLC6A9 P48067 1/20 0.39

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) LMNAATMKMT2ANPC1RAB9A
SCHEMBL2293994 0.88 NPC1 (0.47) LMNAKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL5292979 0.87 RAB9A (0.43) LMNAKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2296926 0.85 KMT2A (0.49) LMNAKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2295353 0.84 RAB9A (0.45) LMNAKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2295816 0.84 RAB9A (0.45) LMNAKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2298509 0.84 NR1H4 (0.47) LMNAKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2291129 0.83 ATM (0.44) LMNAATMKMT2ANPC1RAB9A
SCHEMBL2299706 0.83 KMT2A (0.52) KMT2APOLBMAPTALDH1A1TDP1
SCHEMBL2296307 0.83 NPC1 (0.46) LMNAKMT2ANPC1RAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828144-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI Pharmaceuticals, Inc. (US) 2007-09-05 EP claimed
WO-2006053342-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI PHARMACEUTICALS, INC. (US) 2006-05-18 WO claimed