SCHEMBL16403987

SCHEMBL16403987

Cc1nc(-c2cc(C(=O)N(C)CC(=O)Nc3ccc(F)cc3)n(C)c2)cs1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.50
▸ NPC1 O15118 5/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ ALDH1A1 P00352 2/20 0.45
▸ GFER P55789 1/20 0.45
▸ LMNA P02545 2/20 0.45
▸ HPGD P15428 1/20 0.45
▸ CTDSP1 Q9GZU7 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 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
SCHEMBL14325787 0.93 RAB9A (0.50) RAB9ANPC1MEN1KMT2ATDP1
SCHEMBL16404071 0.81 RAB9A (0.40) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL16403920 0.81 ALDH1A1 (0.38) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL16404150 0.80 RAB9A (0.42) RAB9ANPC1MEN1KMT2AMAPK1
SCHEMBL14684730 0.80 ATP4A (0.43) RAB9ANPC1MEN1KMT2AMAPK1
SCHEMBL14224988 0.79 RAB9A (0.41) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL14224974 0.77 ALDH1A1 (0.39) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL14224958 0.77 ALDH1A1 (0.43) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL16403981 0.76 RAB9A (0.43) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL14684744 0.76 RAB9A (0.50) RAB9ANPC1MEN1KMT2AMAPK1

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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