SCHEMBL5286971

SCHEMBL5286971

O=C(O)CC(c1ccccc1)n1cnc2cc(NC(=O)c3c(F)c(F)c(Br)c(F)c3F)ccc21

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 14/20 0.42
NPC1 O15118 13/20 0.42
SMN1; SMN2 Q16637 7/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 4/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.37
NR1I2 O75469 2/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GFER P55789 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
SCHEMBL5284873 0.93 GAA (0.37) RAB9ANPC1SMN1; SMN2LMNAKMT2A
SCHEMBL2295674 0.84 NPC1 (0.56) RAB9ANPC1SMN1; SMN2LMNATP53
SCHEMBL2292725 0.84 RAB9A (0.44) RAB9ANPC1SMN1; SMN2LMNATP53
SCHEMBL2296419 0.84 NPC1 (0.49) RAB9ANPC1SMN1; SMN2LMNATP53
SCHEMBL2296307 0.84 NPC1 (0.46) RAB9ANPC1SMN1; SMN2LMNATP53
SCHEMBL2298719 0.84 NPC1 (0.41) RAB9ANPC1SMN1; SMN2LMNATP53
SCHEMBL2294561 0.83 RAB9A (0.44) RAB9ANPC1SMN1; SMN2LMNATP53
SCHEMBL2298695 0.82 RAB9A (0.48) RAB9ANPC1SMN1; SMN2LMNATP53
SCHEMBL2292549 0.82 GRM4 (0.48) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL5299923 0.82 NR1I2 (0.44) RAB9ANPC1SMN1; SMN2LMNATP53

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