Aniline

Aniline

SCHEMBL11809275

CC(C)CNc1cc(C(=O)O)cc(S(N)(=O)=O)c1S.Nc1ccccc1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 6/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ TSHR P16473 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ USP2 O75604 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ HIF1A Q16665 2/20 0.44
▸ BLM P54132 1/20 0.44
▸ SLC12A2 P55011 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CISD1 Q9NZ45 2/20 0.38
▸ CREBBP Q92793 1/20 0.37
▸ PKM P14618 1/20 0.36
▸ CA1 P00915 5/20 0.36
▸ CA12 O43570 3/20 0.36
▸ CA9 Q16790 3/20 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
Acetanilide SCHEMBL11803715 0.87 CA2 (0.42) CA2HSD17B10TSHRKDM4EUSP2
Aniline SCHEMBL11796628 0.84 CISD1 (0.52) CA2HSD17B10TSHRKDM4EUSP2
Aniline SCHEMBL11799685 0.83 CA2 (0.44) CA2HSD17B10TSHRKDM4EUSP2
Aniline SCHEMBL11806717 0.83 CA2 (0.43) CA2HSD17B10TSHRKDM4EUSP2
Aniline SCHEMBL11796445 0.81 CA2 (0.41) CA2HSD17B10TSHRKDM4EUSP2
Aniline SCHEMBL11801565 0.80 CA2 (0.40) CA2HSD17B10TSHRKDM4EUSP2
SCHEMBL11809263 0.79 CA2 (0.39) CA2HSD17B10TSHRKDM4EUSP2
Acetanilide SCHEMBL11802093 0.73 CISD1 (0.47) CA2HSD17B10TSHRKDM4EUSP2
Acetanilide SCHEMBL11804849 0.72 CA2 (0.42) CA2HSD17B10TSHRKDM4EUSP2
Acetanilide SCHEMBL11799186 0.72 CA2 (0.41) CA2HSD17B10TSHRKDM4EUSP2

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-3992440-A DIURETICS CIBA-GEIGY CORPORATION (US) 1976-11-16 — — US disclosed
US-3982018-A DIURETICS CIBA-GEIGY CORPORATION (US) 1976-09-21 — — US disclosed
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