SCHEMBL15329873

SCHEMBL15329873

O=Cc1c(-c2ccc([N+](=O)[O-])cc2)nn(-c2cccc(F)c2)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
SRC P12931 1/20 0.41
BRAF P15056 1/20 0.41
KDR P35968 1/20 0.41
PTGS1 P23219 1/20 0.39
PTGS2 P35354 3/20 0.39
PTPN11 Q06124 1/20 0.38
TAAR1 Q96RJ0 2/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
AURKA O14965 1/20 0.36
ALDH1A1 P00352 1/20 0.35
PMM2 O15305 1/20 0.35
MPI P34949 1/20 0.35
PHOSPHO1 Q8TCT1 1/20 0.35

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
SCHEMBL2556769 0.90 MAPT (0.43) CYP1A2CYP2D6CYP2C19MAPTRAB9A
SCHEMBL15330957 0.89 PTGS1 (0.42) CYP1A2CYP2D6CYP2C19SRCBRAF
SCHEMBL2554295 0.89 MAPT (0.44) CYP1A2CYP2C19SRCBRAFKDR
SCHEMBL2559659 0.88 MAPT (0.43) CYP1A2CYP2D6CYP2C19MAPTRAB9A
SCHEMBL15329613 0.87 POLB (0.43) SRCBRAFKDRALDH1A1
SCHEMBL15332097 0.86 SRC (0.55) SRCBRAFKDRPTGS1PTGS2
SCHEMBL2556503 0.86 SRC (0.55) SRCBRAFKDRPTGS1PTGS2
SCHEMBL15330055 0.86 PTPN11 (0.49) PTGS2PTPN11MAPTRAB9AHDAC1
SCHEMBL2558707 0.86 GAA (0.40) SRCBRAFKDRPTGS1PTGS2
SCHEMBL15329733 0.85 POLB (0.40) CYP1A2CYP2D6CYP2C19PTGS1PTGS2

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