SCHEMBL6525786

SCHEMBL6525786

Clc1ccc2[nH]c([CH]CCc3nc4cc(Cl)ccc4[nH]3)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
RAB9A P51151 5/20 0.41
KMT2A Q03164 4/20 0.41
GAA P10253 4/20 0.41
NPC1 O15118 4/20 0.41
LMNA P02545 3/20 0.41
MEN1 O00255 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GLA P06280 2/20 0.41
MAPT P10636 2/20 0.41
PKM P14618 2/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 2/20 0.41
ALPL P05186 1/20 0.41
ALPG P10696 1/20 0.41
HRH4 Q9H3N8 3/20 0.38
POLB P06746 3/20 0.37
PRKAG1 P54619 1/20 0.37

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
SCHEMBL10030890 0.77 TDP1 (0.49) TDP1KMT2AGAALMNAKDM4E
SCHEMBL9598307 0.77 TDP1 (0.49) TDP1RAB9AKMT2AGAANPC1
SCHEMBL9598311 0.77 TDP1 (0.57) TDP1RAB9AKMT2AGAANPC1
SCHEMBL5096967 0.77 RAD52 (0.54) TDP1RAB9AKMT2AGAALMNA
SCHEMBL6526403 0.77 SMN1; SMN2 (0.43) TDP1RAB9AKMT2AGAANPC1
SCHEMBL4791596 0.76 POLB (0.62) TDP1RAB9AKMT2AGAANPC1
Hydrochloric Acid SCHEMBL522539 0.76 RAD52 (0.53) TDP1RAB9AKMT2AGAALMNA
SCHEMBL6525820 0.75 ALDH1A1 (0.42) TDP1RAB9AKMT2AGAANPC1
SCHEMBL485294 0.75 TDP1 (0.53) TDP1RAB9AKMT2AGAANPC1
SCHEMBL9198468 0.75 KMT2A (0.49) TDP1KMT2AGAAMEN1KDM4E

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