SCHEMBL27787232

SCHEMBL27787232

NC(=O)c1cc2c3c(cccc3c1)C=C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 7/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ PTPN11 Q06124 1/20 0.41
▸ PSMD14 O00487 1/20 0.40
▸ STAMBP O95630 1/20 0.40
▸ COPS5 Q92905 1/20 0.40
▸ LCK P06239 1/20 0.38
▸ TSHR P16473 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ DHODH Q02127 3/20 0.37

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
Hydrochloric Acid SCHEMBL8499722 0.98 PARP1 (0.43) PARP1MEN1KMT2APTPN11PSMD14
SCHEMBL5372908 0.84 MEN1 (0.63) MEN1KMT2APTPN11PSMD14TSHR
SCHEMBL5372977 0.82 KMT2A (0.43) MEN1KMT2AMAPTTDP1KDM4E
SCHEMBL4502232 0.79 MEN1 (0.67) PARP1MEN1KMT2APTPN11PSMD14
SCHEMBL8766190 0.78 CA12 (0.46) MEN1KMT2APTPN11PSMD14LCK
SCHEMBL23292914 0.74 MEN1 (0.40) MEN1KMT2A
SCHEMBL8502124 0.73 TRPA1 (0.40) PARP1MEN1KMT2APTPN11PSMD14
Hydrochloric Acid SCHEMBL8500475 0.72 PTPN11 (0.40) PTPN11PSMD14STAMBPCOPS5LCK
SCHEMBL120783 0.71 ALDH1A1 (0.40) MEN1KMT2ATSHRPOLBCYP3A4
SCHEMBL5376089 0.71 MPO (0.41) MEN1KMT2ATSHRPOLBCYP3A4

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
CN-101541811-B Pyrazolopyrimidine Derivatives DAIICHI SANKYO CO LTD 2014-07-09 — — CN disclosed
CN-101541811-A Pyrazolopyrimidine Derivatives DAIICHI SANKYO CO LTD (JP) 2009-09-23 — — CN disclosed
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