SCHEMBL4375188

SCHEMBL4375188

NCc1ccc(Oc2ccc(F)c(Cl)c2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 5/20 0.48
CDK8 P49336 1/20 0.45
EGFR P00533 1/20 0.43
HTR2A P28223 3/20 0.40
SLC6A4 P31645 3/20 0.40
KCNH2 Q12809 3/20 0.40
KDR P35968 2/20 0.40
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CHEK2 O96017 1/20 0.37
MPO P05164 1/20 0.37
TPO P07202 1/20 0.37
EPX P11678 1/20 0.37
LPO P22079 1/20 0.37
LMNA P02545 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
APEX1 P27695 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
SCHEMBL16853366 0.80 ST14 (0.40) MPOTPOEPXLPOTSHR
SCHEMBL21383965 0.80 CDK8 (0.62) SOS1CDK8EGFRKDRMPO
SCHEMBL29442810 0.80 CDK8 (0.62) SOS1CDK8EGFRKDRMPO
SCHEMBL4368153 0.80 CDK8 (0.47) CDK8HTR2ASLC6A4KCNH2KDR
SCHEMBL4375086 0.78 MEN1 (0.45) SOS1CDK8KCNH2
SCHEMBL4345160 0.77 SOS1 (0.65) SOS1CDK8EGFRHTR2ASLC6A4
SCHEMBL923443 0.76 ST14 (0.58) SOS1EGFRHTR2ASLC6A4KCNH2
SCHEMBL3721624 0.74 MPO (0.44) EGFRHTR2ASLC6A4KCNH2NPC1
SCHEMBL3723565 0.73 DPP4 (0.47) SLC6A4KCNH2MAPTMPOTPO
SCHEMBL1680724 0.73 LTA4H (0.52) TSHR

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
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO disclosed