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Aniline

Aniline

SCHEMBL8510048

CC(=O)Cl.Nc1ccccc1.O=C(N[C@@H](Cc1ccccc1)C(=O)O)OCc1ccccc1

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.59
▸ ALOX15 P16050 1/20 0.59
▸ ITGB3 P05106 7/20 0.58
▸ ITGA2B P08514 7/20 0.58
▸ CTSL P07711 4/20 0.57
▸ CTSB P07858 3/20 0.57
▸ CTSS P25774 2/20 0.57
▸ CTSK P43235 2/20 0.57
▸ TACR1 P25103 2/20 0.55
▸ F2 P00734 1/20 0.52
▸ PLAU P00749 1/20 0.52
▸ PLAT P00750 1/20 0.52

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
SCHEMBL2576567 0.94 ALDH1A1 (0.65) ALDH1A1ALOX15ITGB3ITGA2BCTSL
SCHEMBL7434107 0.94 ALDH1A1 (0.65) ALDH1A1ALOX15ITGB3ITGA2BCTSL
Glycine SCHEMBL7320734 0.90 ITGB3 (0.61) ALDH1A1ALOX15ITGB3ITGA2BCTSL
SCHEMBL7084689 0.90 ITGB3 (0.66) ALDH1A1ALOX15ITGB3ITGA2BCTSL
SCHEMBL8717685 0.90 ITGB3 (0.66) ALDH1A1ALOX15ITGB3ITGA2BCTSL
Hypochlorous Acid SCHEMBL7368156 0.90 TACR1 (0.65) ALDH1A1ALOX15ITGB3ITGA2BCTSL
Aniline SCHEMBL8510044 0.89 ITGB3 (0.57) ALDH1A1ALOX15ITGB3ITGA2BCTSL
SCHEMBL8583913 0.89 CTSL (0.65) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL219151 0.87 TACR1 (0.68) ALDH1A1ALOX15ITGB3ITGA2BCTSL
SCHEMBL220648 0.87 TACR1 (0.68) ALDH1A1ALOX15ITGB3ITGA2BCTSL

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-5948790-A VIRICIDES MOSANTO COMPANY (US) 1999-09-07 — — US disclosed