SCHEMBL874365

SCHEMBL874365

CCNc1nc(-c2ccc(N)cc2)sc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 5/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ NPC1 O15118 4/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ POLB P06746 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ MITF O75030 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ GFER P55789 1/20 0.45
▸ NFKB2 Q00653 1/20 0.45
▸ RELA Q04206 1/20 0.45
▸ PAX8 Q06710 1/20 0.45
▸ KLF5 Q13887 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ CDC7 O00311 4/20 0.44
▸ DBF4 Q9UBU7 4/20 0.44

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
SCHEMBL883107 0.88 TRPM8 (0.49) GAAKDM4ENPC1ALDH1A1HPGD
SCHEMBL874463 0.82 RAB9A (0.65) GAARAB9AKDM4ENPC1ALDH1A1
SCHEMBL14018508 0.77 RAB9A (0.77) GAARAB9AKDM4ENPC1ALDH1A1
SCHEMBL15049277 0.76 GAA (0.58) GAARAB9AKDM4ENPC1ALDH1A1
SCHEMBL27997095 0.75 GAA (0.43) GAARAB9AKDM4ENPC1ALDH1A1
SCHEMBL28245733 0.74 GAA (0.46) GAARAB9AKDM4ENPC1ALDH1A1
SCHEMBL10069158 0.74 CD274 (0.41) NPC1ALDH1A1HPGDMAPTPPARA
SCHEMBL28245757 0.74 RAB9A (0.56) GAARAB9AKDM4ENPC1ALDH1A1
SCHEMBL15049103 0.74 RAB9A (0.62) GAARAB9AKDM4ENPC1ALDH1A1
SCHEMBL874883 0.73 MGLL (0.50) GAARAB9AMAPTTDP1SMN1; SMN2

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-2012038904-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-29 — — WO disclosed
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