Aniline

Aniline

SCHEMBL9309215

Nc1ccccc1.O=S(=O)(O)C(NC(c1ccccc1)S(=O)(=O)O)c1ccccc1

nearest known ligand 0.44

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.44
ALDH1A1 P00352 4/20 0.43
TSHR P16473 3/20 0.41
PTPN1 P18031 3/20 0.39
PTPN6 P29350 3/20 0.39
PTPN11 Q06124 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GMNN O75496 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
PMP22 Q01453 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PRMT1 Q99873 1/20 0.37
KEAP1 Q14145 1/20 0.37
MEN1 O00255 1/20 0.37
CNR1 P21554 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
SCHEMBL7628117 0.77 HTR6 (0.49) SRCALDH1A1TSHRKMT2ALMNA
Aniline SCHEMBL3783271 0.75 TSHR (0.58) ALDH1A1TSHRKMT2ALMNATDP1
Aniline SCHEMBL167326 0.75 TSHR (0.65) ALDH1A1TSHRKMT2ALMNATDP1
Aniline SCHEMBL676147 0.75 TSHR (0.65) ALDH1A1TSHRKMT2ALMNATDP1
Aniline SCHEMBL167327 0.75 TSHR (0.65) ALDH1A1TSHRKMT2ALMNATDP1
SCHEMBL28530197 0.75 KMT2A (0.55) SRCALDH1A1TSHRPTPN1PTPN6
SCHEMBL10033917 0.73 SRC (0.47) SRCALDH1A1TSHRPTPN1PTPN6
SCHEMBL22690202 0.73 CNR2 (0.41) SRCALDH1A1TSHRPTPN1PTPN6
Aniline SCHEMBL5693986 0.73 TSHR (0.61) ALDH1A1TSHRKMT2ALMNATDP1
Aniline SCHEMBL28037884 0.73 TSHR (0.61) ALDH1A1TSHRKMT2ALMNATDP1

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
US-5349057-A Water soluble azo dyes containing a cyanoamino-triazinyl-amino group and a fiber-reactive of the sulfone series HOECHST AKTIENGESELLSCHAFT (DE) 1994-09-20 US disclosed
US-5021558-A Color strength, fastness HOECHST AKTIENGESELLSCHAFT (DE) 1991-06-04 US disclosed