Aniline

Aniline

SCHEMBL30887654

C=CCC(=O)O.Nc1ccccc1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.46
▸ PAM P19021 1/20 0.44
▸ HTT P42858 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ AKT1 P31749 1/20 0.39
▸ PBRM1 Q86U86 1/20 0.38
▸ CYP1B1 Q16678 1/20 0.38
▸ HPGD P15428 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ AKR1B1 P15121 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ SLC22A6 Q4U2R8 1/20 0.36
▸ SLC22A8 Q8TCC7 1/20 0.36
▸ CPN1 P15169 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
Aniline SCHEMBL28784815 0.88 TSHR (0.46) TSHRPAMHTTALDH1A1CYP2C19
Biphenyl SCHEMBL11045970 0.83 LMNA (0.48) TSHRPAMHTTALDH1A1CYP2C19
Benzene SCHEMBL11645295 0.82 ALDH1A1 (0.47) TSHRPAMHTTALDH1A1CYP2C19
Phenol SCHEMBL17183829 0.81 CA2 (0.48) TSHRPAMHTTALDH1A1CYP2C19
Phthalic Acid SCHEMBL35170 0.79 ALDH1A1 (0.58) PAMALDH1A1HPGDCYP3A4KDM4E
Styrene SCHEMBL1904235 0.79 ALDH1A1 (0.58) TSHRPAMHTTALDH1A1CYP2C19
SCHEMBL10781610 0.79 PAM (0.44) TSHRPAMHTTALDH1A1CYP2C19
O-Xylene SCHEMBL4088288 0.79 PAM (0.44) TSHRPAMHTTALDH1A1CYP2C19
Benzoic Acid SCHEMBL11147183 0.79 TSHR (0.58) TSHRPAMHTTALDH1A1AKT1
Iodobenzene SCHEMBL28964206 0.79 PAM (0.44) TSHRPAMHTTALDH1A1CYP2C19

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-118027725-A Matting agent, preparation method and application 淮南景成新材料有限公司 2024-05-14 — — CN disclosed
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