O-Tolylamine

O-Tolylamine

SCHEMBL28282555

CCCS(=O)(=O)O.Cc1ccccc1N

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ ALDH1A1 P00352 5/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ GAA P10253 2/20 0.37
▸ MAPT P10636 2/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CD44 P16070 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA4 P22748 2/20 0.34
▸ CA7 P43166 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34

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
O-Xylene SCHEMBL27598736 0.87 TSHR (0.43) ALDH1A1HSD17B10MEN1KMT2AGAA
O-Xylene SCHEMBL11518436 0.85 TSHR (0.42) ALDH1A1HSD17B10MEN1KMT2AGAA
SCHEMBL28090048 0.85 ALDH1A1 (0.41) CYP3A4TDP1ALDH1A1HSD17B10MEN1
SCHEMBL28136844 0.83 CD44 (0.36) CYP3A4TDP1ALDH1A1HSD17B10MEN1
O-Tolylamine SCHEMBL4577784 0.82 CYP3A4 (0.68) CYP3A4TDP1ALDH1A1HSD17B10MEN1
O-Tolylamine SCHEMBL27656306 0.81 CYP3A4 (0.65) CYP3A4TDP1ALDH1A1HSD17B10MEN1
O-Tolylamine SCHEMBL4537950 0.81 CYP3A4 (0.65) CYP3A4TDP1ALDH1A1HSD17B10GAA
O-Tolylamine SCHEMBL30505312 0.81 CYP3A4 (0.65) CYP3A4TDP1ALDH1A1HSD17B10GAA
Aniline SCHEMBL8010474 0.79 TSHR (0.44) TDP1ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL28247980 0.79 RAPGEF4 (0.44) CYP3A4TDP1ALDH1A1MEN1KMT2A

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
CN-109613226-B A kind of creatinine assay kit and its application 浙江夸克生物科技有限公司 2019-08-16 — — CN claimed
CN-109613226-A A kind of creatinine assay kit and its application 浙江夸克生物科技有限公司 2019-04-12 — — CN claimed
Send feedback