SCHEMBL2556342

SCHEMBL2556342

COc1ccc2cc(-c3nc(C=O)c[nH]3)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.46
HSD17B1 P14061 2/20 0.45
HSD17B2 P37059 2/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP11B1 P15538 7/20 0.43
CYP11B2 P19099 7/20 0.43
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP17A1 P05093 2/20 0.43
NISCH Q9Y2I1 1/20 0.43
CYP2C19 P33261 1/20 0.41
CYP19A1 P11511 1/20 0.41
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
HDAC2 Q92769 1/20 0.40

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
SCHEMBL7476783 0.88 MAPT (0.51) NPC1RAB9AALDH1A1MAPTKDM4E
SCHEMBL15332174 0.86 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP2C9
SCHEMBL15331918 0.82 ALDH1A1 (0.44) ALDH1A1MAPTKDM4ECYP1A2CYP3A4
SCHEMBL29957264 0.82 CYP11B1 (0.41) GSTP1NPC1RAB9AALDH1A1MAPT
SCHEMBL15330739 0.81 KDM4E (0.49) NPC1RAB9AALDH1A1KDM4E
SCHEMBL15331238 0.79 ESR2 (0.44) HSD17B1HSD17B2CYP11B1CYP11B2CYP1A2
SCHEMBL29952806 0.79 ESR2 (0.44) HSD17B1HSD17B2CYP11B1CYP11B2CYP1A2
SCHEMBL2557528 0.79 KDM4E (0.44) ALDH1A1MAPTKDM4ECYP1A2CYP2C19
SCHEMBL15330573 0.79 TRIM24 (0.49) NPC1RAB9AALDH1A1MAPTKDM4E
SCHEMBL2554665 0.79 ALDH1A1 (0.46) ALDH1A1MAPTKDM4ECYP1A2CYP3A4

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 7 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
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed