SCHEMBL8828

SCHEMBL8828

OCCCc1ccc(Br)cc1F

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.54
PDPK1 O15530 1/20 0.46
PYCR1 P32322 1/20 0.41
MTNR1B P49286 1/20 0.41
NPC1 O15118 2/20 0.39
DGAT1 O75907 1/20 0.39
USP28 Q96RU2 1/20 0.38
KDM1A O60341 1/20 0.37
RAB9A P51151 1/20 0.37
AKR1B1 P15121 3/20 0.36
NAAA Q02083 1/20 0.35
MCL1 Q07820 1/20 0.35
AKR1A1 P14550 1/20 0.35
MAP2K1 Q02750 1/20 0.35

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
SCHEMBL5826 0.88 PDPK1 (0.48) CA2PDPK1PYCR1MTNR1BNPC1
SCHEMBL1862883 0.87 CA2 (0.50) CA2PDPK1MTNR1BNPC1RAB9A
SCHEMBL1487566 0.85 CA2 (0.42) CA2PDPK1NPC1DGAT1USP28
SCHEMBL1310562 0.81 PDPK1 (0.42) CA2PDPK1PYCR1MTNR1BNPC1
SCHEMBL6691430 0.81 TYR (0.47) PDPK1PYCR1MTNR1BNPC1KDM1A
SCHEMBL2818682 0.80 PDPK1 (0.56) PDPK1MTNR1BNPC1DGAT1AKR1B1
SCHEMBL79271 0.80 CA2 (0.57) CA2
SCHEMBL20465747 0.79 PYCR1 (0.46) PDPK1PYCR1NPC1DGAT1USP28
SCHEMBL507839 0.79 PYCR1 (0.46) PDPK1PYCR1NPC1DGAT1USP28
SCHEMBL223670 0.79 TYR (0.47) PDPK1PYCR1MTNR1BKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115926807-A Liquid crystal medium and application 深圳市和力信材料有限公司 2023-04-07 CN disclosed
WO-2017157735-A1 SUBSTITUTED SULFONYL AMIDES FOR CONTROLLING ANIMAL PESTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-09-21 WO disclosed
EP-2496567-A2 NOVEL BENZOPYRAN KINASE MODULATORS Rhizen Pharmaceuticals S.A. (CH) 2012-09-12 EP disclosed
EP-2344494-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS Signal Pharmaceuticals, LLC (US) 2011-07-20 EP disclosed
WO-2011055215-A2 NOVEL KINASE MODULATORS INCOZEN THERAPEUTICS PVT. LTD. (IN) 2011-05-12 WO disclosed
WO-2010027500-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2010-03-11 WO disclosed