SCHEMBL5811567

SCHEMBL5811567

O=C(O)c1nn(Cc2ccc(Cl)c(Cl)c2)c2c1CCCC2

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.48
PPARG P37231 1/20 0.48
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.46
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
POLB P06746 1/20 0.43
CCR2 P41597 7/20 0.42
KCNK3 O14649 1/20 0.40
PEX14 O75381 1/20 0.40
RORC P51449 1/20 0.40
ABCB11 O95342 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL5807508 0.87 MAPT (0.46) LMNAMAPTSMN1; SMN2POLB
SCHEMBL182893 0.85 FABP4 (0.49) LMNAGAAPOLBKCNK3SIGMAR1
SCHEMBL2870198 0.84 PTGER4 (0.48) LMNAMAPTSMN1; SMN2SIGMAR1
SCHEMBL2843685 0.84 PTGER4 (0.48) LMNAMAPTSMN1; SMN2SIGMAR1
SCHEMBL300478 0.84 FABP4 (0.50) GAAPOLBKCNK3SIGMAR1
SCHEMBL5806383 0.83 FABP4 (0.49) CYP2C9LMNAMAPTRAB9ASMN1; SMN2
SCHEMBL5822513 0.83 SMN1; SMN2 (0.48) LMNAMAPTRAB9ASMN1; SMN2GAA
SCHEMBL4218086 0.82 FABP4 (0.50) LMNASMN1; SMN2KCNK3SIGMAR1
SCHEMBL5811340 0.81 CNR2 (0.71) LMNAMAPTSMN1; SMN2GAACNR1
SCHEMBL5806477 0.79 CNR2 (0.48) LMNAMAPTRAB9ASMN1; SMN2GAA

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-2006030124-A1 CONDENSED PYRAZOLE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2006-03-23 WO disclosed