SCHEMBL3910280

SCHEMBL3910280

Fc1ccc(NCCc2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.73
TAAR1 Q96RJ0 3/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
KCNH2 Q12809 2/20 0.53
KMT2A Q03164 3/20 0.52
GAA P10253 2/20 0.52
MEN1 O00255 1/20 0.52
MAPT P10636 1/20 0.52
LMNA P02545 2/20 0.51
PLAAT3 P53816 1/20 0.50
PLAAT5 Q96KN8 1/20 0.50
PLAAT2 Q9NWW9 1/20 0.50
PLAAT4 Q9UL19 1/20 0.50
KCNH3 Q9ULD8 1/20 0.49
ATM Q13315 1/20 0.48
KDM1A O60341 1/20 0.48
CYP1A2 P05177 1/20 0.48

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
SCHEMBL2311052 0.92 L3MBTL1 (0.73) L3MBTL1TAAR1NPC1RAB9AKDM4E
SCHEMBL11653014 0.91 L3MBTL1 (0.86) L3MBTL1TAAR1NPC1RAB9AALDH1A1
SCHEMBL88597 0.87 L3MBTL1 (0.95) L3MBTL1TAAR1NPC1RAB9AALDH1A1
SCHEMBL24375975 0.87 L3MBTL1 (0.95) L3MBTL1TAAR1NPC1RAB9AALDH1A1
SCHEMBL21186859 0.87 L3MBTL1 (0.95) L3MBTL1TAAR1NPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL8746161 0.85 L3MBTL1 (1.00) L3MBTL1TAAR1NPC1RAB9AALDH1A1
SCHEMBL17040434 0.83 L3MBTL1 (0.73) L3MBTL1TAAR1NPC1RAB9AALDH1A1
SCHEMBL24641654 0.83 L3MBTL1 (0.73) L3MBTL1TAAR1NPC1RAB9AALDH1A1
SCHEMBL819106 0.83 L3MBTL1 (0.80) L3MBTL1TAAR1NPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL5107977 0.83 F2 (0.71) L3MBTL1ALDH1A1KCNH2KMT2AGAA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2018364-A1 THERAPEUTIC FLUOROETHYL UREAS Allergan, Inc. (US) 2009-01-28 EP disclosed
WO-2007137029-A1 THERAPEUTIC FLUOROETHYL UREAS ALLERGAN, INC. (US) 2007-11-29 WO disclosed
US-6222073-B1 REACTING AROMATIC OLEFIN WITH ANILINE COMPOUND IN INERT SOLVENT IN PRESENCE OF BASIC CATALYST SELECTED FROM ALKALI METAL OR ALKALINE EARTH METAL ALCOHOLATES, ALKALI METAL OR ALKALINE EARTH METAL AMIDES TO FORM N-ALKYLATED ANILINES AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 2001-04-24 US disclosed
EP-1047661-A1 CATALYTIC SYNTHESIS OF N-ALKYLATED ANILINES FROM OLEFINS AND ANILINES Aventis Research & Technologies GmbH & Co. KG (DE) 2000-11-02 EP disclosed
WO-1999036388-A1 CATALYTIC SYNTHESIS OF N-ALKYLATED ANILINES FROM OLEFINS AND ANILINES AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 1999-07-22 WO disclosed