SCHEMBL9876850

SCHEMBL9876850

Oc1ccc(-c2nn(-c3cccc(O)c3)c3ncccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPK1 P28482 1/20 0.47
PTGER1 P34995 1/20 0.42
CDK2 P24941 4/20 0.41
CCNE1 P24864 2/20 0.41
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
CCNA2 P20248 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
BLM P54132 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SAE1 Q9UBE0 1/20 0.38

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
SCHEMBL9876890 0.92 PTGER1 (0.50) MAPTMEN1KMT2AMAPK1PTGER1
SCHEMBL9876798 0.91 CDK2 (0.51) MAPTMEN1KMT2AMAPK1PTGER1
SCHEMBL9876720 0.91 CDK2 (0.46) MAPTMEN1KMT2AMAPK1PTGER1
SCHEMBL9876686 0.88 PTGER1 (0.50) MAPTMEN1KMT2AMAPK1PTGER1
SCHEMBL9877081 0.84 CCNA2 (0.49) MAPTMEN1KMT2AMAPK1PTGER1
SCHEMBL9876766 0.82 PTGER1 (0.53) MAPTMEN1KMT2AMAPK1PTGER1
SCHEMBL9876681 0.82 CCNA2 (0.49) MAPTMEN1KMT2AMAPK1PTGER1
SCHEMBL9876695 0.82 CCNA2 (0.49) MAPTKMT2AMAPK1PTGER1CDK2
SCHEMBL9876833 0.75 NAMPT (0.54) PTGER1ALDH1A1HPGDSMN1; SMN2ESR1
SCHEMBL9876903 0.74 CCNA2 (0.53) MAPTMAPK1PTGER1CDK2CCNA2

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
US-5006520-A Antibiotics, antitumor agents, treatment of blood disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-04-09 US disclosed
EP-0338087-A1 FUSED PYRAZOLE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR MEDICINAL USE Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1989-10-25 EP disclosed