SCHEMBL16403943

SCHEMBL16403943

Cc1nc(-c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)n(C)c2)cs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 12/20 0.47
▸ NPC1 O15118 11/20 0.47
▸ MAPT P10636 6/20 0.47
▸ KDM4E B2RXH2 4/20 0.47
▸ NFKB1 P19838 3/20 0.47
▸ NFKB2 Q00653 3/20 0.47
▸ RELA Q04206 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ MEN1 O00255 7/20 0.47
▸ KMT2A Q03164 7/20 0.47
▸ SMN1; SMN2 Q16637 6/20 0.47
▸ LMNA P02545 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ MAPK1 P28482 2/20 0.46
▸ STAT1 P42224 2/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ HPGD P15428 1/20 0.46

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
SCHEMBL16403951 0.93 RAB9A (0.47) RAB9ANPC1MAPTKDM4ENFKB1
SCHEMBL14317616 0.89 NPC1 (0.52) RAB9ANPC1MAPTKDM4ENFKB1
SCHEMBL16404114 0.89 NPC1 (0.52) RAB9ANPC1MAPTKDM4ENFKB1
SCHEMBL14315443 0.87 RAB9A (0.63) RAB9ANPC1MAPTKDM4ENFKB1
SCHEMBL14315442 0.86 NPC1 (0.53) RAB9ANPC1MAPTKDM4ENFKB1
SCHEMBL16403941 0.85 NPC1 (0.50) RAB9ANPC1MAPTKDM4ENFKB1
SCHEMBL14315441 0.85 NPC1 (0.54) RAB9ANPC1MAPTKDM4ENFKB1
SCHEMBL16403950 0.85 RAB9A (0.52) RAB9ANPC1MAPTKDM4ENFKB1
SCHEMBL16403945 0.84 NFKB1 (0.60) RAB9ANPC1MAPTKDM4ENFKB1
SCHEMBL16403942 0.84 NPC1 (0.50) RAB9ANPC1MAPTKDM4ENFKB1

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
US-8937065-B2 Compositions and methods for modulating a kinase CLEVEXEL PHARMA (FR) 2015-01-20 — — US disclosed
US-8937065-B2 Compositions and methods for modulating a kinase CLEVEXEL PHARMA (FR) 2015-01-20 — — US disclosed
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