SCHEMBL9989594

SCHEMBL9989594

O=C(CCc1cc(-c2cccc(F)c2)n(-c2ccc(C(=O)O)cc2)n1)NCCCN1CCCC1=O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
USP2 O75604 1/20 0.43
NAMPT P43490 1/20 0.43
MAPK1 P28482 1/20 0.42
LMNA P02545 2/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL9988491 0.91 ALDH1A1 (0.49) NPC1RAB9AUSP2NAMPTLMNA
SCHEMBL9989252 0.86 NPC1 (0.53) NPC1RAB9AMAPK1LMNAKMT2A
SCHEMBL9989823 0.84 RXRA (0.40) RAB9ALMNAKMT2AALDH1A1KDM4E
SCHEMBL9989017 0.79 MALT1 (0.53)
SCHEMBL9988495 0.77 MALT1 (0.49) NAMPT
SCHEMBL9988522 0.77 MALT1 (0.50) NPC1RAB9ALMNAKMT2ASMN1; SMN2
SCHEMBL9990189 0.76 MALT1 (0.49) RAB9AKMT2AMEN1TSHRKDM4E
SCHEMBL9988484 0.76 MALT1 (0.47) KMT2AMEN1ALDH1A1
SCHEMBL9988478 0.76 MALT1 (0.56)
SCHEMBL9988866 0.76 MALT1 (0.49) LMNAKMT2ATSHRALDH1A1KDM4E

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-2011161615-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2011-12-29 WO disclosed