Aniline

Aniline

SCHEMBL11682873

Nc1ccccc1.O=S(=O)=Nc1cccc(S(=O)(=O)O)c1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.56
▸ TDP1 Q9NUW8 2/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ SENP3 Q9H4L4 2/20 0.48
▸ SENP2 Q9HC62 2/20 0.48
▸ SENP1 Q9P0U3 2/20 0.48
▸ SUMO2 P61956 1/20 0.48
▸ SUMO1 P63165 1/20 0.48
▸ SENP7 Q9BQF6 1/20 0.48
▸ CA12 O43570 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ POLB P06746 3/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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-Tolylamine SCHEMBL11685894 0.83 SENP3 (0.47) TSHRTDP1ALDH1A1HSD17B10SENP3
Aniline SCHEMBL11683907 0.83 CYP2D6 (0.54) TSHRTDP1ALDH1A1HSD17B10SENP2
SCHEMBL11682454 0.80 SENP3 (0.44) TSHRTDP1ALDH1A1HSD17B10SENP3
SCHEMBL11684033 0.80 SENP3 (0.44) TSHRTDP1ALDH1A1HSD17B10SENP3
Aniline SCHEMBL11683612 0.80 PRMT1 (0.38) TSHRTDP1ALDH1A1HSD17B10CA12
Aniline SCHEMBL28185301 0.79 TSHR (0.88) TSHRTDP1ALDH1A1HSD17B10CA12
SCHEMBL11684625 0.79 SENP3 (0.43) TSHRTDP1ALDH1A1HSD17B10SENP3
SCHEMBL5888397 0.76 TDP1 (0.70) TSHRTDP1ALDH1A1HSD17B10SENP3
SCHEMBL5888399 0.76 TDP1 (0.70) TSHRTDP1ALDH1A1HSD17B10SENP3
Aniline SCHEMBL11683885 0.76 ALDH1A1 (0.44) TSHRTDP1ALDH1A1HSD17B10SENP3

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
US-4055557-A MONOAZO DYES BAYER AKTIENGESELLSCHAFT (DT) 1977-10-25 — — US disclosed
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