SCHEMBL15331981

SCHEMBL15331981

O=Cc1cnc(Nc2ccc(Cl)cc2)nc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.55
▸ HDAC1 Q13547 1/20 0.55
▸ HDAC2 Q92769 1/20 0.55
▸ HDAC6 Q9UBN7 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.47
▸ STK17A Q9UEE5 8/20 0.46
▸ GRM5 P41594 6/20 0.45
▸ POLB P06746 1/20 0.45
▸ MAOA P21397 2/20 0.44
▸ MAOB P27338 2/20 0.44
▸ ADORA3 P0DMS8 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ PDE4A P27815 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ STK17B O94768 4/20 0.43
▸ SCN9A Q15858 1/20 0.42
▸ SYK P43405 1/20 0.41

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
SCHEMBL15332393 0.82 RAB9A (0.47) HDAC3HDAC1HDAC2HDAC6STK17A
SCHEMBL23094602 0.81 HDAC6 (0.53) HDAC6STK17AKDRSYK
SCHEMBL15332714 0.80 HDAC3 (0.59) HDAC3HDAC1HDAC2HDAC6GRM5
SCHEMBL15331048 0.79 NPC1 (0.49) HDAC3HDAC1HDAC2HDAC6HSD17B10
SCHEMBL15332616 0.78 HDAC3 (0.58) HDAC3HDAC1HDAC2HDAC6GRM5
SCHEMBL4503013 0.77 GRM5 (0.47) HSD17B10STK17AGRM5POLBSTK17B
SCHEMBL15332185 0.77 SYK (0.56) POLBKDRSYK
SCHEMBL14801200 0.76 HDAC3 (0.53) HDAC3HDAC1HDAC2HDAC6STK17A
SCHEMBL22191302 0.76 HDAC3 (0.56) HDAC3HDAC1HDAC2HDAC6STK17A
SCHEMBL3651535 0.75 RAB9A (0.44) HDAC3HDAC1HDAC2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 — — US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 — — EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 — — EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 — — US disclosed
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