SCHEMBL2562004

SCHEMBL2562004

O=Cc1ccc(-c2cnccc2C(=O)O)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.51
CYP2E1 P05181 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2B6 P20813 1/20 0.51
CYP2C19 P33261 1/20 0.51
KDM4C Q9H3R0 8/20 0.42
KDM6B O15054 3/20 0.42
KDM4D Q6B0I6 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
KDM4A O75164 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CCNC P24863 1/20 0.38
CDK8 P49336 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
SCHEMBL2551381 0.88 CYP2A6 (0.51) CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6
SCHEMBL2558619 0.78 KDM4E (0.46) CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6
SCHEMBL2555299 0.77 CYP2E1 (0.39) CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6
SCHEMBL2554550 0.77 GABRP (0.42) CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6
SCHEMBL2558597 0.76 CYP2E1 (0.38) CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6
SCHEMBL2560805 0.75 KDM4C (0.41) CYP2A6KDM4CKDM6BKDM4DKDM4E
SCHEMBL2560505 0.73 KEAP1 (0.39) CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6
SCHEMBL15329691 0.73 ALDH1A1 (0.45) KDM4EMEN1ALDH1A1KMT2ADPP4
SCHEMBL15331673 0.71 KDM4C (0.46) KDM4CKDM6BKDM4DKDM4EMEN1
SCHEMBL2562840 0.71 CSNK2A1 (0.44) CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6

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