SCHEMBL9409037

SCHEMBL9409037

O=C(O)c1cc(Nc2ccccc2)c(Nc2ccccc2)cc1CO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.54
▸ GFER P55789 1/20 0.54
▸ NGLY1 Q96IV0 1/20 0.54
▸ FABP4 P15090 1/20 0.53
▸ AKR1C3 P42330 4/20 0.49
▸ AKR1C2 P52895 4/20 0.49
▸ CTSV O60911 3/20 0.47
▸ CTSL P07711 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ KDM4C Q9H3R0 1/20 0.44
▸ ALOX15 P16050 1/20 0.42
▸ PTGS1 P23219 2/20 0.42
▸ TAS2R14 Q9NYV8 2/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ TTR P02766 1/20 0.42

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
SCHEMBL8833788 0.84 MAPT (0.67) MAPTGFERNGLY1FABP4AKR1C3
SCHEMBL351705 0.80 MAPT (0.79) MAPTGFERNGLY1FABP4AKR1C3
SCHEMBL9172301 0.78 MAPT (0.76) MAPTGFERNGLY1FABP4AKR1C3
SCHEMBL9409097 0.76 MAPT (0.57) MAPTGFERNGLY1FABP4AKR1C3
SCHEMBL28324640 0.73 HMGB1 (0.45) ALDH1A1HPGDGAATHRBHSD17B10
Hydrochloric Acid SCHEMBL28298843 0.73 MAPT (0.73) MAPTGFERNGLY1FABP4AKR1C3
SCHEMBL2723037 0.73 SIRT2 (0.58) MAPTGFERNGLY1FABP4KDM4E
SCHEMBL27701802 0.73 IDO1 (0.55) MAPTGFERNGLY1AKR1C3AKR1C2
SCHEMBL8002116 0.72 MAPT (0.67) MAPTGFERNGLY1FABP4AKR1C3
SCHEMBL1520973 0.72 MAPT (0.56) MAPTGFERNGLY1FABP4KDM4E

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
EP-0600832-A1 Derivatives of diamino benzoic and diamino phthalic acid und their use as protein linase inhibitors CIBA-GEIGY AG (CH) 1994-06-08 — — EP claimed
EP-0600832-A1 Derivatives of diamino benzoic and diamino phthalic acid und their use as protein linase inhibitors CIBA-GEIGY AG (CH) 1994-06-08 — — EP disclosed
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