SCHEMBL2554396

SCHEMBL2554396

O=Cc1ccc(-c2ccnc(C(=O)O)c2)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2A6 P11509 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2B6 P20813 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMO O15229 1/20 0.45
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 4/20 0.45
MAPT P10636 2/20 0.45
KDM6B O15054 1/20 0.45
TET3 O43151 1/20 0.45
KDM4A O75164 1/20 0.45
BBOX1 O75936 1/20 0.45
KDM5A P29375 1/20 0.45
KDM5C P41229 1/20 0.45
ASPH Q12797 1/20 0.45
KDM4D Q6B0I6 1/20 0.45
TET2 Q6N021 1/20 0.45
ALKBH5 Q6P6C2 1/20 0.45

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
SCHEMBL2561478 0.80 CYP2E1 (0.50) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL526657 0.78 CYP2A6 (0.51) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL2559288 0.78 KMO (0.51) KMOKDM4EALDH1A1MAPTKDM6B
SCHEMBL20860616 0.78 CYP2E1 (0.51) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL526386 0.78 CYP2E1 (0.55) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL2558189 0.76 KDM4C (0.50) KMOKDM4EALDH1A1MAPTKDM6B
SCHEMBL28936755 0.74 CYP2E1 (0.46) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL7513922 0.74 KMO (0.71) KMOKDM4EALDH1A1MAPTKDM6B
SCHEMBL30800092 0.74 KMO (0.71) KMOKDM4EALDH1A1MAPTKDM6B
SCHEMBL2557368 0.74 HDAC1 (0.57) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6

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