SCHEMBL9283376

SCHEMBL9283376

CC(=O)c1ccccc1NCc1ccc2c(c1)OCO2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.62
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.58
KDM4E B2RXH2 2/20 0.58
TSHR P16473 1/20 0.58
HPGD P15428 7/20 0.56
AURKA O14965 1/20 0.55
RPS6KB1 P23443 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 1/20 0.54
ALOX15 P16050 1/20 0.54
HTT P42858 1/20 0.54
ALDH1A1 P00352 1/20 0.54
POLB P06746 1/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53

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
SCHEMBL9505468 0.88 KMT2A (0.76) KDRKMT2AMEN1KDM4ETSHR
SCHEMBL6254143 0.77 KDR (1.00) KDRKMT2AMEN1KDM4ETSHR
SCHEMBL2616458 0.76 HSD17B10 (0.61) KMT2AMEN1KDM4ETSHRHPGD
SCHEMBL4991673 0.75 SMN1; SMN2 (0.73) KMT2AMEN1HPGDSMN1; SMN2LMNA
SCHEMBL20830056 0.74 HPGD (0.72) KMT2AMEN1KDM4ETSHRHPGD
SCHEMBL20828646 0.74 HPGD (0.73) KMT2AMEN1KDM4EHPGDLMNA
SCHEMBL2728973 0.74 AURKA (0.64) KDRKDM4EHPGDAURKARPS6KB1
SCHEMBL1714616 0.74 KDR (0.54) KDRKMT2AMEN1KDM4ETSHR
SCHEMBL12700347 0.74 HPGD (0.72) KMT2AMEN1KDM4EHPGDLMNA
SCHEMBL8636561 0.73 MAPK8 (0.67) KMT2AMEN1KDM4ETSHRHPGD

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-1996033190-A1 QUINOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION, THE RESULTANT INTERMEDIATES, THEIR USE AS MEDICAMENTS AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ROUSSEL UCLAF (FR) 1996-10-24 WO disclosed