Aniline

Aniline

SCHEMBL8510044

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

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.57
ITGA2B P08514 6/20 0.57
TACR1 P25103 2/20 0.54
CTSL P07711 1/20 0.53
CTSB P07858 1/20 0.53
CTSS P25774 1/20 0.53
CTSK P43235 1/20 0.53
ALDH1A1 P00352 1/20 0.52
ALOX15 P16050 1/20 0.52
F2 P00734 1/20 0.51
PLAU P00749 1/20 0.51
PLAT P00750 1/20 0.51
MME P08473 1/20 0.51
ECE1 P42892 1/20 0.51
CTRB1 P17538 1/20 0.50

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
SCHEMBL9127693 0.94 ITGB3 (0.60) ITGB3ITGA2BTACR1CTSLCTSB
SCHEMBL2576566 0.94 ITGB3 (0.60) ITGB3ITGA2BTACR1CTSLCTSB
SCHEMBL8583912 0.89 TACR1 (0.61) TACR1CTSLCTSBCTSSCTSK
Aniline SCHEMBL8510048 0.89 ALDH1A1 (0.59) ITGB3ITGA2BTACR1CTSLCTSB
SCHEMBL7084689 0.89 ITGB3 (0.66) ITGB3ITGA2BTACR1CTSLCTSB
SCHEMBL8717685 0.89 ITGB3 (0.66) ITGB3ITGA2BTACR1CTSLCTSB
SCHEMBL7366118 0.86 TACR1 (0.62) ITGB3ITGA2BTACR1CTSLCTSB
Hypochlorous Acid SCHEMBL7368156 0.86 TACR1 (0.65) ITGB3ITGA2BTACR1CTSLCTSB
SCHEMBL7372270 0.86 TACR1 (0.68) ITGB3ITGA2BTACR1CTSLCTSB
SCHEMBL220648 0.86 TACR1 (0.68) ITGB3ITGA2BTACR1CTSLCTSB

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