SCHEMBL6525820

SCHEMBL6525820

FC(F)(F)C[CH]c1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
NPC1 O15118 4/20 0.42
LMNA P02545 4/20 0.42
MAPT P10636 4/20 0.42
RAB9A P51151 4/20 0.42
KDM4E B2RXH2 3/20 0.42
GAA P10253 3/20 0.42
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HTT P42858 3/20 0.42
GLA P06280 2/20 0.42
PKM P14618 2/20 0.42
ALPL P05186 1/20 0.42
ALPG P10696 1/20 0.42
HRH4 Q9H3N8 4/20 0.36
HTR3A P46098 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
F7 P08709 1/20 0.34

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
SCHEMBL6526403 0.78 SMN1; SMN2 (0.43) ALDH1A1NPC1LMNAMAPTRAB9A
SCHEMBL6525786 0.75 TDP1 (0.43) ALDH1A1NPC1LMNAMAPTRAB9A
SCHEMBL1536850 0.74 LMNA (0.48) ALDH1A1NPC1LMNAMAPTRAB9A
SCHEMBL6528307 0.74 ALDH1A1 (0.48) ALDH1A1NPC1LMNAMAPTRAB9A
SCHEMBL10843980 0.71 HRH4 (0.38) ALDH1A1LMNAGAAKMT2AHRH4
SCHEMBL9866407 0.71 NPSR1 (0.58) ALDH1A1LMNAMAPTKDM4EGAA
SCHEMBL6525905 0.71 ALDH1A1 (0.44) ALDH1A1NPC1LMNAMAPTRAB9A
SCHEMBL10852555 0.71 RAB9A (0.47) NPC1LMNAMAPTRAB9AHPGD
SCHEMBL5104251 0.69 AAK1 (0.44) RAB9AKDM4EGAAHRH4HTR3A
SCHEMBL1171146 0.68 ALDH1A1 (0.53) ALDH1A1NPC1MAPTRAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575925-A1 NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2005-09-21 EP disclosed
WO-2004056784-A1 NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-08 WO disclosed