Aniline

Aniline

SCHEMBL27650765

CCS(=O)(=O)O.Nc1ccccc1.O=S(=O)(O)O

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

FGFR1FGFR2FGFR3FGFR4FLT1FLT4KDRPDGFRAPDGFRB

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 4/20 0.50
GAA P10253 2/20 0.43
ALDH1A1 P00352 3/20 0.43
NT5E P21589 1/20 0.43
PSIP1 O75475 1/20 0.43
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
BLM P54132 1/20 0.42
GFER P55789 1/20 0.42
PMP22 Q01453 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.39
CYP2D6 P10635 1/20 0.39
KEAP1 Q14145 1/20 0.38
KMT2A Q03164 1/20 0.38

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 SCHEMBL10806060 0.98 TSHR (0.52) TSHRGAAALDH1A1NT5EPSIP1
Aniline SCHEMBL167327 0.88 TSHR (0.65) TSHRGAAALDH1A1NT5EKDM4E
Aniline SCHEMBL676147 0.88 TSHR (0.65) TSHRGAAALDH1A1NT5EKDM4E
Aniline SCHEMBL167326 0.88 TSHR (0.65) TSHRGAAALDH1A1NT5EKDM4E
Aniline SCHEMBL28037884 0.85 TSHR (0.61) TSHRGAAALDH1A1NT5EKDM4E
Aniline SCHEMBL5693986 0.85 TSHR (0.61) TSHRGAAALDH1A1NT5EKDM4E
Aniline SCHEMBL7856690 0.85 TSHR (0.44) TSHRGAAALDH1A1NT5EKDM4E
Aniline SCHEMBL8010474 0.85 TSHR (0.44) TSHRGAAALDH1A1NT5EPSIP1
Aniline SCHEMBL8022436 0.84 TSHR (0.52) TSHRGAAALDH1A1NT5EKDM4E
Aniline SCHEMBL7863425 0.84 TSHR (0.52) TSHRGAAALDH1A1NT5EKDM4E

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-1810892-A Novel reactive yellow dye compounds and mixture thereof KYUNG IN SYNTHETIC CORP (KR) 2006-08-02 CN disclosed