SCHEMBL8044033

SCHEMBL8044033

O=C(O)c1c(OC2CCCC2)nc(-c2ccc(Cl)cc2)nc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.40
RXRA P19793 1/20 0.40
NR4A2 P43354 1/20 0.40
KMO O15229 5/20 0.38
DHODH Q02127 2/20 0.37
PDE4B Q07343 1/20 0.36
PDE4D Q08499 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
PTGS1 P23219 4/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL8039605 0.88 CNR1 (0.41) CNR1RXRANR4A2PTGS1
SCHEMBL8037711 0.84 KDM4E (0.47) CNR1RXRANR4A2KMOPDE4B
SCHEMBL4007802 0.81 ATM (0.40) CNR1KMOPDE4BPDE4DSMN1; SMN2
SCHEMBL8038617 0.78 ATM (0.52) CNR1RXRANR4A2DHODHSMN1; SMN2
SCHEMBL8021755 0.77 KDM4E (0.39) CNR1RXRANR4A2KMOPDE4B
SCHEMBL8038387 0.73 KDM4E (0.46) SMN1; SMN2
SCHEMBL4007805 0.70 CNR1 (0.41) CNR1KMOPDE4BPDE4DSMN1; SMN2
SCHEMBL8036895 0.70 MAPT (0.40)
SCHEMBL8034697 0.70 MAPT (0.40)
SCHEMBL8037264 0.69 KDM4E (0.39) SMN1; SMN2

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-2009080248-A1 SUBSTITUTED 2-PHENYLPYRIMIDINE-5-CARBOXYLIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-02 WO disclosed