SCHEMBL15330772

SCHEMBL15330772

O=Cc1c(-c2cccc([N+](=O)[O-])c2)[nH]c2ccc(F)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
GABRA4 P48169 1/20 0.46
GABRE P78334 1/20 0.46
GABRA6 Q16445 1/20 0.46
GABRG1 Q8N1C3 1/20 0.46
GABRG3 Q99928 1/20 0.46
GABRQ Q9UN88 1/20 0.46
CCNE1 P24864 1/20 0.45
CDK2 P24941 1/20 0.45
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44

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
SCHEMBL15330292 0.91 CTSV (0.46) CCNE1CDK2MAPTCNR1MEN1
SCHEMBL15332773 0.86 MEN1 (0.48) CCNE1CDK2MAPTCNR1MEN1
SCHEMBL15330037 0.86 MMP2 (0.50) CCNE1CDK2DRD2HTR2AHTR2C
SCHEMBL15331828 0.85 LMNA (0.47) DRD2HTR2AHTR2CMAPTCNR1
SCHEMBL15330463 0.84 MEN1 (0.48) CCNE1CDK2MAPTMEN1POLB
SCHEMBL15330064 0.83 CTSV (0.54) CCNE1CDK2DRD2HTR2AHTR2C
SCHEMBL15332461 0.82 MAPT (0.45) DRD2HTR2AHTR2CMAPTCNR1
SCHEMBL15332429 0.81 NPBWR1 (0.50) CCNE1CDK2DRD2HTR2AHTR2C
SCHEMBL2561299 0.80 KDM4E (0.45) HTR2AHTR2CMAPTMEN1NPC1
SCHEMBL15332244 0.80 ALDH1A1 (0.46) GABRPGABRDGABRA1GABRB1GABRG2

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