SCHEMBL5307394

SCHEMBL5307394

Clc1cc(Br)ccc1-c1nc2ccccc2o1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.59
KDM4E B2RXH2 3/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
TSHR P16473 1/20 0.59
XBP1 P17861 1/20 0.53
HIF1A Q16665 1/20 0.53
ESR1 P03372 1/20 0.52
ESR2 Q92731 1/20 0.52
PTGS2 P35354 2/20 0.52
TP53 P04637 5/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
PKM P14618 2/20 0.49
HSD17B10 Q99714 2/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL18875231 0.86 MAPT (0.63) MAPTKDM4EMEN1KMT2ATSHR
SCHEMBL11869096 0.85 KDM4E (0.55) MAPTKDM4EMEN1KMT2ATSHR
SCHEMBL7573646 0.84 NPC1 (0.56) MAPTKDM4EMEN1KMT2ATSHR
SCHEMBL12861182 0.84 PTGS2 (0.60) MAPTKDM4EMEN1KMT2ATSHR
SCHEMBL17880694 0.83 KDM6B (0.61) MAPTKDM4EMEN1KMT2ATSHR
SCHEMBL7578683 0.82 ESR1 (0.52) MAPTKDM4EMEN1KMT2AESR1
SCHEMBL10415479 0.81 MAPT (0.62) MAPTKDM4EMEN1KMT2ATSHR
SCHEMBL11381588 0.81 PTGS2 (0.49) MAPTKDM4EMEN1KMT2ATSHR
SCHEMBL10385204 0.81 MAPT (0.53) MAPTKDM4ETSHRESR1ESR2
SCHEMBL16459759 0.80 NPC1 (0.67) MAPTKDM4EMEN1KMT2APTGS2

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
WO-2007039146-A1 4-CARBOXY PYRAZOLE DERIVATIVES AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-12 WO disclosed
WO-2007039146-A1 4-CARBOXY PYRAZOLE DERIVATIVES AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-12 WO disclosed