SCHEMBL8824082

SCHEMBL8824082

O/N=C1\CCn2c(-c3ccc(C(F)(F)F)cc3)nc3cccc1c32

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 11/20 0.47
KCNH2 Q12809 2/20 0.36
GRM2 Q14416 2/20 0.36
HTR3A P46098 1/20 0.35
SCN9A Q15858 1/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
CHUK O15111 1/20 0.34
TXNRD1 Q16881 1/20 0.34
NOX4 Q9NPH5 1/20 0.34
KDM4E B2RXH2 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL8824085 1.00 PARP1 (0.47) PARP1KCNH2GRM2HTR3ASCN9A
SCHEMBL8824093 0.86 PARP1 (0.55) PARP1KCNH2GRM2HTR3AKDM4E
SCHEMBL9243355 0.86 PARP1 (0.55) PARP1KCNH2GRM2HTR3AKDM4E
SCHEMBL8823991 0.85 PARP1 (0.58) PARP1KCNH2GRM2HTR3ALMNA
SCHEMBL8824089 0.85 PARP1 (0.45) PARP1KCNH2GRM2HTR3AKDM4E
SCHEMBL8823994 0.85 PARP1 (0.58) PARP1KCNH2GRM2HTR3ALMNA
SCHEMBL8824092 0.85 PARP1 (0.45) PARP1KCNH2GRM2HTR3AKDM4E
SCHEMBL8824037 0.81 PARP1 (0.42) PARP1KCNH2GRM2HTR3ALMNA
SCHEMBL8824032 0.81 PARP1 (0.42) PARP1KCNH2GRM2HTR3ALMNA
SCHEMBL9243297 0.71 PARP1 (0.53) PARP1KCNH2GRM2HTR3ALMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5643920-A PYRROLO(3,2,1-IJ)QUINOLINES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 US disclosed
EP-0638570-A1 TRICYCLIC COMPOUND HAVING ANTIALLERGIC EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1995-02-15 EP disclosed