SCHEMBL9670892

SCHEMBL9670892

COc1ccc2nc(NC(=O)c3nc4ccccc4[nH]3)sc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 9/20 0.67
RAB9A P51151 9/20 0.64
NPC1 O15118 9/20 0.64
KMT2A Q03164 7/20 0.64
MEN1 O00255 6/20 0.64
PLCG2 P16885 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C19 P33261 1/20 0.61
HTT P42858 1/20 0.61
DYRK1A Q13627 1/20 0.61
KDM4E B2RXH2 1/20 0.61
POLB P06746 2/20 0.60
LMNA P02545 1/20 0.60
MAPT P10636 1/20 0.60
NFKB1 P19838 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60

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
SCHEMBL4919277 0.83 PLCG2 (0.77) SCDRAB9ANPC1KMT2AMEN1
SCHEMBL4912951 0.81 SCD (1.00) SCDRAB9ANPC1KMT2AMEN1
SCHEMBL16681363 0.79 SCD (0.88) SCDRAB9ANPC1KMT2AMEN1
SCHEMBL31243 0.78 SCD (1.00) SCDRAB9ANPC1KMT2AMEN1
SCHEMBL4912210 0.78 SCD (0.80) SCDRAB9ANPC1KMT2AMEN1
SCHEMBL4920242 0.78 RAB9A (0.79) SCDRAB9ANPC1KMT2AMEN1
SCHEMBL31065 0.78 SCD (1.00) SCDRAB9ANPC1KMT2AMEN1
SCHEMBL30917 0.77 SCD (0.83) SCDRAB9ANPC1KMT2AMEN1
SCHEMBL16562091 0.77 RAB9A (0.78) SCDRAB9ANPC1KMT2AMEN1
SCHEMBL16554160 0.77 SCD (1.00) SCDRAB9ANPC1KMT2AMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0254322-B1 BENZIMIDAZOLE DERIVATIVES NISSHIN FLOUR MILLING CO., LTD. (JP) 1992-09-23 EP disclosed
US-4886803-A CARDIOTONIC AGENTS NISSHIN FLOUR MILLING CO., LTD. (JP) 1989-12-12 US disclosed
EP-0254322-A1 Benzimidazole derivatives NISSHIN FLOUR MILLING CO., LTD. (JP) 1988-01-27 EP disclosed