SCHEMBL8928500

SCHEMBL8928500

O=C(NCc1nnc2n1-c1sccc1C(c1ccccc1)=NC2)Nc1ccccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 4/20 0.43
RECQL P46063 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 2/20 0.40
OPRK1 P41145 2/20 0.39
CASR P41180 1/20 0.37
RAB9A P51151 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BRD4 O60885 1/20 0.36
LMNA P02545 1/20 0.36
GABRA1 P14867 1/20 0.36
CNR1 P21554 1/20 0.36
GABRA5 P31644 1/20 0.36

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
SCHEMBL8928565 0.86 HPGD (0.45) MAPK1KMT2AHPGDRECQLSMN1; SMN2
SCHEMBL8928618 0.85 OPRK1 (0.54) MAPK1KMT2AHPGDRECQLSMN1; SMN2
SCHEMBL8928425 0.83 MAPK1 (0.44) MAPK1KMT2AHPGDRECQLSMN1; SMN2
SCHEMBL8928531 0.82 HPGD (0.41) HPGDRECQLSMN1; SMN2KDM4ERAB9A
SCHEMBL8928488 0.82 HPGD (0.44) HPGDRECQLSMN1; SMN2KDM4EOPRK1
SCHEMBL8928513 0.80 PKM (0.42) MAPK1KMT2AHPGDRECQLSMN1; SMN2
SCHEMBL8928406 0.80 OPRK1 (0.53) MAPK1KMT2AHPGDRECQLSMN1; SMN2
SCHEMBL8928625 0.80 OPRK1 (0.47) MAPK1KMT2AOPRK1PTAFR
SCHEMBL8928438 0.79 OPRK1 (0.51) MAPK1OPRK1PTAFR
SCHEMBL8928456 0.78 OPRK1 (0.63) OPRK1PTAFR

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
EP-0776892-A1 THIENYLAZOLE COMPOUND AND THIENOTRIAZOLODIAZEPINE COMPOUND YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-06-04 EP disclosed