Aniline

Aniline

SCHEMBL29068756

CCC.Nc1ccccc1.c1c[nH]nn1

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.41
▸ MAOA P21397 5/20 0.32
▸ MAOB P27338 5/20 0.32
▸ CYP3A4 P08684 3/20 0.32
▸ TDP1 Q9NUW8 3/20 0.32
▸ CYP2C9 P11712 3/20 0.32
▸ MAPT P10636 2/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TAAR1 Q96RJ0 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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 SCHEMBL19386114 0.92 TSHR (0.48) TSHRMAOAMAOBCYP3A4TDP1
Benzene SCHEMBL29022973 0.84 — —
Phenol SCHEMBL29273161 0.81 CA12 (0.41) CYP3A4TDP1ALDH1A1CYP1A2CYP2C19
Propane SCHEMBL27819842 0.79 — —
Ethylbenzene SCHEMBL27979228 0.79 TP53 (0.54) CYP3A4TDP1CYP2C9MAPTL3MBTL1
Biphenyl SCHEMBL28546215 0.79 NOTUM (0.39) MAOAMAOBCYP3A4TDP1MAPT
SCHEMBL27655486 0.76 CNR2 (0.37) MAOAMAOBMAPTCYP19A1TP53
Toluene SCHEMBL2978420 0.76 LMNA (0.48) TSHRTDP1CYP2C9CYP2C19RAB9A
Biphenyl SCHEMBL1551538 0.76 NOTUM (0.44) ALDH1A1CYP1A2RAB9ASMN1; SMN2NPC1
Isopropylbenzene SCHEMBL29288252 0.76 SLC6A2 (0.38) MAOAMAOBTDP1KDM4EALDH1A1

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-116565273-A Cross-linked phosphoric acid doped polysulfone proton exchange membrane and preparation method thereof 陕西国防工业职业技术学院 2023-08-08 — — CN disclosed
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