SCHEMBL15329834

SCHEMBL15329834

Cc1ccccc1-c1[nH]c2ccc([N+](=O)[O-])cc2c1C=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.54
MAPT P10636 7/20 0.51
LMNA P02545 3/20 0.51
CTSV O60911 1/20 0.50
CTSL P07711 1/20 0.50
PARP1 P09874 1/20 0.50
NPBWR1 P48145 1/20 0.49
CDK5 Q00535 3/20 0.47
CDK5R1 Q15078 3/20 0.47
CCNB2 O95067 2/20 0.47
CDK1 P06493 2/20 0.47
CCNB1 P14635 2/20 0.47
GSK3B P49841 2/20 0.47
CCNB3 Q8WWL7 2/20 0.47
CCNE1 P24864 2/20 0.47
CDK2 P24941 2/20 0.47
CDC7 O00311 1/20 0.47
PLK4 O00444 1/20 0.47
IKBKB O14920 1/20 0.47
PDPK1 O15530 1/20 0.47

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
SCHEMBL15331823 0.85 CTSV (0.50) CYP19A1MAPTLMNACTSVCTSL
SCHEMBL15333338 0.84 CYP19A1 (0.43) CYP19A1MAPTLMNACTSVCTSL
SCHEMBL15331784 0.82 MEN1 (0.48) MAPTLMNACDK5CDK5R1CCNB2
SCHEMBL15330815 0.80 CCNE1 (0.47) MAPTLMNACTSVCTSLPARP1
SCHEMBL15331912 0.80 KDM4E (0.46) MAPTLMNAPARP1CDK5CDK5R1
SCHEMBL15332384 0.80 MAP2 (0.52) LMNACDK5CDK5R1CCNB2CDK1
SCHEMBL32690728 0.80 CTSV (0.59) CYP19A1MAPTLMNACTSVCTSL
SCHEMBL15332429 0.80 NPBWR1 (0.50) MAPTLMNACTSVCTSLPARP1
SCHEMBL29958160 0.79 MAPT (0.54) MAPTLMNACTSVCTSLPARP1
SCHEMBL1121664 0.79 MAPT (0.54) MAPTLMNACTSVCTSLPARP1

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