SCHEMBL29951008

SCHEMBL29951008

O=Cc1c(O)c2cc(F)ccc2oc1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 4/20 0.61
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.56
KMT2A Q03164 1/20 0.56
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45
PTPN1 P18031 1/20 0.44
GABRP O00591 3/20 0.42
GABRD O14764 3/20 0.42
GABRA1 P14867 3/20 0.42
GABRB1 P18505 3/20 0.42
GABRG2 P18507 3/20 0.42
GABRB3 P28472 3/20 0.42
GABRA5 P31644 3/20 0.42
GABRA3 P34903 3/20 0.42
GABRA2 P47869 3/20 0.42
GABRB2 P47870 3/20 0.42
GABRA4 P48169 3/20 0.42
GABRE P78334 3/20 0.42
GABRA6 Q16445 3/20 0.42

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
SCHEMBL17845026 0.81 MEN1 (0.56) NQO1MEN1LMNAKMT2ACDK5
SCHEMBL29953189 0.81 CA12 (0.62) NQO1PTPN1GABRPGABRDGABRA1
SCHEMBL10436941 0.81 NQO1 (0.61) NQO1MEN1KMT2ACA12CA9
SCHEMBL11568363 0.81 NQO1 (0.61) NQO1MEN1KMT2APTPN1GABRP
SCHEMBL29957740 0.81 MEN1 (0.56) NQO1MEN1LMNAKMT2ACDK5
SCHEMBL29958053 0.81 NQO1 (0.61) NQO1MEN1KMT2ACA12CA9
SCHEMBL29953437 0.81 NQO1 (0.61) NQO1MEN1KMT2APTPN1GABRP
SCHEMBL11415283 0.78 NQO1 (0.64) NQO1MEN1LMNAKMT2AKDM4E
SCHEMBL2232638 0.77 KDM4E (0.59) NQO1MEN1LMNAKMT2ACA12
SCHEMBL24864998 0.75 NQO1 (0.57) NQO1MEN1LMNAKMT2ACDK5

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 1 patent. 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