SCHEMBL7087440

SCHEMBL7087440

COC(=O)Cn1c(C(N)=O)cc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CCR2 P41597 2/20 0.52
PLA2G10 O15496 2/20 0.51
F10 P00742 1/20 0.50
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 0.48
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
HSD17B10 Q99714 2/20 0.46
NPC1 O15118 1/20 0.46
PKN1 Q16512 1/20 0.46
PKN2 Q16513 1/20 0.46

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
SCHEMBL2476665 0.87 CCR2 (0.60) KDM4ESMN1; SMN2CCR2KMT2AMEN1
Hydrochloric Acid SCHEMBL9085791 0.86 ALDH1A1 (0.59) KDM4ESMN1; SMN2CCR2KMT2AMEN1
SCHEMBL9085776 0.86 KDM4E (0.55) KDM4ESMN1; SMN2CCR2KMT2AMEN1
SCHEMBL10629278 0.82 KMT2A (0.71) KDM4ESMN1; SMN2F10KMT2AMEN1
SCHEMBL27539310 0.82 KMT2A (0.61) SMN1; SMN2CCR2PLA2G10F10KMT2A
SCHEMBL1757508 0.81 KDM4E (0.59) KDM4ESMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL13738783 0.80 CCR2 (0.58) CCR2PLA2G10F10KMT2AMEN1
SCHEMBL30044340 0.80 CCR2 (0.58) CCR2PLA2G10F10KMT2AMEN1
SCHEMBL20609049 0.80 HDAC3 (0.53) KDM4ESMN1; SMN2CCR2PLA2G10F10
SCHEMBL30622530 0.80 HDAC3 (0.53) KDM4ESMN1; SMN2CCR2PLA2G10F10

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
EP-1345897-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2003-09-24 EP disclosed
WO-2002044150-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2002-06-06 WO disclosed