SCHEMBL27586089

SCHEMBL27586089

COCCOc1ccc(N)c(-c2ccccc2)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ ADRB2 P07550 1/20 0.40
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ RAB9A P51151 3/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ FGB P02675 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ NCOA2 Q15596 1/20 0.36
▸ NCOA1 Q15788 1/20 0.36

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
SCHEMBL27586094 0.88 ALDH1A1 (0.38) ALDH1A1TDP1MAPK1MEN1KMT2A
SCHEMBL27603756 0.83 ALDH1A1 (0.42) ALDH1A1TDP1ADRB2CYP1A2CYP2C9
SCHEMBL6069244 0.76 TLR7 (0.43) LMNAADRB2CYP1A2CYP2C9CYP2C19
SCHEMBL23352277 0.75 CYP1A2 (0.44) LMNAADRB2CYP1A2CYP2C9CYP2C19
SCHEMBL2846218 0.73 CYP1A2 (0.47) ALDH1A1TDP1ADRB2CYP1A2CYP2C9
SCHEMBL31172404 0.73 CYP1A2 (0.47) ALDH1A1TDP1ADRB2CYP1A2CYP2C9
SCHEMBL10809856 0.73 MEN1 (0.68) ALDH1A1LMNATDP1CYP1A2CYP2C9
SCHEMBL1029928 0.72 CYP1A2 (0.66) ALDH1A1LMNATDP1ADRB2CYP1A2
SCHEMBL29684634 0.72 CYP1A2 (0.66) ALDH1A1LMNATDP1ADRB2CYP1A2
SCHEMBL6069097 0.72 CYP1A2 (0.37) ALDH1A1LMNATDP1CYP1A2CYP2C9

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
CN-1529691-A N-benzyl-m-phenylenediamine derivatives and colorants containing these compounds P&G 2004-09-15 — — CN disclosed
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