SCHEMBL17664007

SCHEMBL17664007

Clc1ccc(Cc2ccc(Cl)cc2Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
MAPT P10636 2/20 0.52
PYCR1 P32322 1/20 0.44
CYP3A4 P08684 2/20 0.43
HPGD P15428 2/20 0.43
ALOX15 P16050 2/20 0.43
HIF1A Q16665 2/20 0.43
HSD17B10 Q99714 1/20 0.43
HSP90AB1 P08238 1/20 0.42
MPO P05164 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
SNCA P37840 1/20 0.40
CCR5 P51681 1/20 0.39
IDO1 P14902 6/20 0.39
AGXT P21549 2/20 0.39
SLC6A4 P31645 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SLC22A1 O15245 1/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL11820351 0.79 ALDH1A1 (0.49) MEN1KMT2AMAPTALOX15ALDH1A1
SCHEMBL3902134 0.79 HPGD (0.47) MEN1KMT2AMAPTCYP3A4HPGD
SCHEMBL11722438 0.78 IDO1 (0.56) MEN1KMT2AMAPTCYP3A4HPGD
SCHEMBL965997 0.78 PYCR1 (0.46) MEN1KMT2AMAPTPYCR1CYP3A4
Hydrochloric Acid SCHEMBL31033443 0.77 PYCR1 (0.45) MEN1KMT2AMAPTPYCR1CYP3A4
SCHEMBL11255191 0.76 MEN1 (0.57) MEN1KMT2AMAPTCYP3A4HPGD
SCHEMBL29485890 0.76 PYCR1 (0.47) MEN1KMT2AMAPTPYCR1CYP3A4
SCHEMBL979069 0.76 PYCR1 (0.47) MEN1KMT2AMAPTPYCR1CYP3A4
SCHEMBL26078400 0.76 PYCR1 (0.47) MEN1KMT2AMAPTPYCR1CYP3A4
SCHEMBL980222 0.75 TAAR1 (0.52) PYCR1CYP3A4TAAR1IDO1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3209732-B1 SPHINGOSINE-1-PHOSPATE RECEPTOR MODULATORS FOR TREATMENT OF CARDIOPULMONARY DISORDERS SCRIPPS RESEARCH INST (US) 2021-08-04 EP disclosed
WO-2021003295-A1 MODULATORS OF HSD17B13 AND METHODS OF USE THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2021-01-07 WO disclosed
WO-2016053855-A1 SPHINGOSINE-1-PHOSPATE RECEPTOR MODULATORS FOR TREATMENT OF CARDIOPULMONARY DISORDERS THE SCRIPPS RESEARCH INSTITUTE (US) 2016-04-07 WO disclosed