SCHEMBL16403992

SCHEMBL16403992

Cc1nc(-c2cc(C(=O)N3CCCCC3)n(C)c2)cs1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.60
▸ ALDH1A1 P00352 2/20 0.60
▸ NPC1 O15118 2/20 0.60
▸ PKM P14618 1/20 0.60
▸ HPGD P15428 2/20 0.48
▸ AR P10275 5/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ ATP4A P20648 2/20 0.43
▸ ATP4B P51164 2/20 0.43
▸ CCKBR P32239 1/20 0.42
▸ CASP3 P42574 1/20 0.41
▸ CASP2 P42575 1/20 0.41
▸ RHOA P61586 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TRIM24 O15164 1/20 0.39
▸ KDM4E B2RXH2 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
SCHEMBL16403916 0.87 ALDH1A1 (0.48) RAB9AALDH1A1NPC1PKMHPGD
SCHEMBL16403918 0.86 NPC1 (0.47) RAB9AALDH1A1NPC1PKMHPGD
SCHEMBL16403979 0.83 MGLL (0.48) RAB9AALDH1A1NPC1PKMHPGD
SCHEMBL14684758 0.80 LMNA (0.53) RAB9AALDH1A1NPC1PKMHPGD
SCHEMBL16404113 0.79 CCNC (0.55) RAB9AALDH1A1NPC1PKMHPGD
SCHEMBL16403981 0.77 RAB9A (0.43) RAB9AALDH1A1NPC1PKMHPGD
SCHEMBL16403980 0.77 KDM4E (0.44) RAB9AALDH1A1NPC1PKMHPGD
SCHEMBL14318276 0.77 ATP4A (0.69) RAB9AALDH1A1NPC1PKMHPGD
SCHEMBL16403985 0.77 RAB9A (0.41) RAB9AALDH1A1NPC1PKMHPGD
SCHEMBL16403966 0.77 LMNA (0.55) ALDH1A1NPSR1LMNASMN1; SMN2POLB

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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