SCHEMBL15054482

SCHEMBL15054482

CCCSc1cc(C(=O)O)cc([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.62
▸ TP53 P04637 1/20 0.44
▸ GAA P10253 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ CASR P41180 1/20 0.39
▸ SRD5A2 P31213 1/20 0.38
▸ HCAR3 P49019 3/20 0.38
▸ S1PR4 O95977 1/20 0.38
▸ S1PR1 P21453 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ LMNA P02545 2/20 0.37

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
SCHEMBL11941049 0.82 PLA2G2A (0.43) MAPTTP53MEN1KMT2A
SCHEMBL5095344 0.80 TP53 (0.50) MAPTTP53TDP1SMN1; SMN2CYP3A4
SCHEMBL3889343 0.79 TP53 (0.53) MAPTTP53TDP1SMN1; SMN2CYP3A4
Alcohol SCHEMBL28214623 0.77 CYP3A4 (0.55) MAPTTP53GAATDP1SMN1; SMN2
SCHEMBL6794925 0.77 ALDH1A1 (0.51) MAPTTP53GAATDP1SMN1; SMN2
SCHEMBL908724 0.77 MAPT (0.49) MAPTGAASMN1; SMN2CYP3A4NPC1
SCHEMBL15054774 0.77 TP53 (0.42) MAPTTP53GAATDP1SMN1; SMN2
SCHEMBL30866611 0.75 TPMT (0.52) MAPTCYP3A4
SCHEMBL15054145 0.75 MAPT (0.53) MAPTTP53GAATDP1MEN1
SCHEMBL29199640 0.75 TPMT (0.52) MAPTCYP3A4

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-2013096151-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2013-06-27 — — WO disclosed
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