SCHEMBL9739707

SCHEMBL9739707

COC(=N)Nc1nc(C)cc(C)n1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
RECQL P46063 1/20 0.47
POLB P06746 1/20 0.46
RAB9A P51151 2/20 0.43
HTT P42858 1/20 0.42
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
HPGD P15428 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ADORA2A P29274 1/20 0.39

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
SCHEMBL9739732 0.87 CYP1A2 (0.50) KMT2AMEN1MAPTKDM4ERECQL
SCHEMBL9741185 0.87 KMT2A (0.47) KMT2AMEN1MAPTKDM4ERECQL
SCHEMBL6182511 0.79 KMT2A (0.47) KMT2AMEN1MAPTKDM4ERECQL
SCHEMBL3455095 0.78 MAPT (0.55) KMT2AMEN1MAPTKDM4ERECQL
SCHEMBL9739607 0.78 S1PR2 (0.35) KMT2AKDM4ECYP1A2
SCHEMBL9740214 0.78 CYP1A2 (0.61) KMT2AMAPTKDM4EHTTGAA
SCHEMBL22804462 0.77 MAPT (0.48) KMT2AMEN1MAPTKDM4ERECQL
SCHEMBL10853491 0.76 MAPT (0.44) KMT2AMEN1MAPTKDM4ERECQL
SCHEMBL9749074 0.76 MAPT (0.41) KMT2AMEN1MAPTKDM4ERECQL
SCHEMBL10850245 0.75 MAPT (0.47) KMT2AMEN1MAPTKDM4ERECQL

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
US-5126454-A PROCESS FOR THE PREPARATION OF SULPHONYLISOUREAS BAYER AKTIENGESELLSCHAFT (DE) 1992-06-30 US disclosed