Aniline

Aniline

SCHEMBL28305697

C#C.C#C.Nc1ccccc1.Nc1ccccc1.O=S(=O)(O)O

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Aniline. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.58
ALDH1A1 P00352 5/20 0.48
NT5E P21589 1/20 0.48
HSD17B10 Q99714 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 3/20 0.43
MAPT P10636 3/20 0.43
HPGD P15428 2/20 0.43
CYP3A4 P08684 4/20 0.42
LMNA P02545 4/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 2/20 0.42
KEAP1 Q14145 1/20 0.42
BLM P54132 1/20 0.42
GFER P55789 1/20 0.42
PMP22 Q01453 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
MEN1 O00255 1/20 0.41
RECQL P46063 2/20 0.40

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
Aniline SCHEMBL167326 0.95 TSHR (0.65) TSHRALDH1A1NT5EHSD17B10TDP1
Aniline SCHEMBL167327 0.95 TSHR (0.65) TSHRALDH1A1NT5EHSD17B10TDP1
Aniline SCHEMBL676147 0.95 TSHR (0.65) TSHRALDH1A1NT5EHSD17B10TDP1
Aniline SCHEMBL28037884 0.92 TSHR (0.61) TSHRALDH1A1NT5EHSD17B10TDP1
Aniline SCHEMBL5693986 0.92 TSHR (0.61) TSHRALDH1A1NT5EHSD17B10TDP1
Aniline SCHEMBL3156113 0.86 TSHR (0.61) TSHRALDH1A1NT5EHSD17B10TDP1
Aniline SCHEMBL7863425 0.85 TSHR (0.52) TSHRALDH1A1NT5EHSD17B10TDP1
Aniline SCHEMBL8022436 0.85 TSHR (0.52) TSHRALDH1A1NT5EHSD17B10TDP1
Aniline SCHEMBL11412412 0.84 TSHR (0.58) TSHRALDH1A1NT5EHSD17B10TDP1
Aniline SCHEMBL3783271 0.84 TSHR (0.58) TSHRALDH1A1NT5EHSD17B10TDP1

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-108130583-B A kind of electroplating liquid composition, preparation method and the application of ultra-thin saw blade 上海新阳半导体材料股份有限公司 2019-07-12 CN disclosed