SCHEMBL8533517

SCHEMBL8533517

CCOc1ccc(C(=O)Nc2ccccc2)cc1N.CCOc1ccc(C(=O)Nc2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.70
▸ GAA P10253 2/20 0.68
▸ ALDH1A1 P00352 6/20 0.67
▸ TDP1 Q9NUW8 2/20 0.67
▸ CYP3A4 P08684 2/20 0.67
▸ TSHR P16473 1/20 0.67
▸ CTDSP1 Q9GZU7 1/20 0.66
▸ MAPT P10636 11/20 0.66
▸ SMN1; SMN2 Q16637 3/20 0.66
▸ L3MBTL1 Q9Y468 1/20 0.66
▸ MEN1 O00255 6/20 0.65
▸ KMT2A Q03164 6/20 0.65
▸ HTT P42858 2/20 0.63
▸ LMNA P02545 2/20 0.61
▸ RECQL P46063 2/20 0.60
▸ BLM P54132 1/20 0.60
▸ CACNA1B Q00975 1/20 0.60
▸ APBA1 Q02410 1/20 0.60
▸ KDM4E B2RXH2 1/20 0.57
▸ CYP1A2 P05177 1/20 0.57

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
SCHEMBL6817979 0.93 POLB (0.79) POLBGAAALDH1A1TDP1CYP3A4
SCHEMBL6813061 0.89 MEN1 (0.65) POLBGAAALDH1A1TDP1MAPT
SCHEMBL11068320 0.81 GAA (0.71) POLBGAAALDH1A1CTDSP1MAPT
SCHEMBL19034437 0.81 ALDH1A1 (1.00) POLBGAAALDH1A1TDP1CYP3A4
SCHEMBL11485510 0.79 MEN1 (0.68) POLBGAAALDH1A1TDP1CYP3A4
SCHEMBL11693391 0.79 ALDH1A1 (0.66) POLBGAAALDH1A1TDP1CYP3A4
SCHEMBL17512404 0.78 POLB (0.70) POLBGAAALDH1A1TDP1CTDSP1
SCHEMBL11316671 0.78 SMN1; SMN2 (0.61) POLBGAAALDH1A1TDP1MAPT
SCHEMBL751204 0.78 MAPT (0.69) POLBGAAALDH1A1TDP1CYP3A4
SCHEMBL11957596 0.77 ALDH1A1 (0.75) POLBGAAALDH1A1TDP1CYP3A4

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-1042276-A1 THIOUREA COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING OR PREVENTING INFLAMMATORY DISEASES AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY LLC (US) 2000-10-11 — — EP disclosed
WO-1999032433-A1 THIOUREA AND BENZAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING OR PREVENTING INFLAMMATORY DISEASES AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1999-07-01 — — WO disclosed
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