SCHEMBL7044697

SCHEMBL7044697

O=C(O)c1nc(Cc2ccc(Cl)cc2)c(Cc2ccc(Cl)cc2)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 2/20 0.45
KDM4C Q9H3R0 1/20 0.42
LTB4R Q15722 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.39
ALDH1A1 P00352 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.38
DAO P14920 1/20 0.38
CHEK2 O96017 1/20 0.37
BRS3 P32247 1/20 0.37

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
SCHEMBL6552425 0.85 LTB4R (0.57) KDM4CLTB4RKDM4EALDH1A1
SCHEMBL6551997 0.84 PIN1 (0.45) LTB4RKDM4ERAB9ASMN1; SMN2LMNA
SCHEMBL7042642 0.81 ALOX5 (0.57) LTB4RPOLBALDH1A1
SCHEMBL7046586 0.79 MAPT (0.40) NPC1POLBRAB9ASMN1; SMN2LMNA
SCHEMBL7042512 0.76 CNR1 (0.58) NPC1RAB9ASMN1; SMN2
SCHEMBL7043397 0.76 CNR1 (0.58) NPC1POLBRAB9ASMN1; SMN2LMNA
SCHEMBL7046457 0.75 ALOX15 (0.48) POLBLMNA
SCHEMBL6553452 0.70 TDP1 (0.50) LTB4RNPC1POLBRAB9ASMN1; SMN2
SCHEMBL7044623 0.70 NPC1 (0.43) LTB4RNPC1POLBRAB9ASMN1; SMN2
SCHEMBL25463459 0.69 DAO (0.41) KDM4CLMNAALDH1A1PTGDR2DAO

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-2003007887-A2 SUBSTITUTED IMIDAZOLES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-01-30 WO disclosed