SCHEMBL19068192

SCHEMBL19068192

CC(C)=COCc1cn(CC#N)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ ICMT O60725 1/20 0.42
▸ USP2 O75604 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CNR2 P34972 1/20 0.38
▸ HTR3A P46098 2/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ GALR3 O60755 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ PRMT5 O14744 1/20 0.36
▸ CHRNB2 P17787 2/20 0.36
▸ CHRNA7 P36544 2/20 0.36
▸ CHRNA4 P43681 2/20 0.36
▸ RAD52 P43351 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ SNCA P37840 2/20 0.34
▸ APP P05067 1/20 0.34

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
SCHEMBL28665118 0.71 CDC25A (0.58) POLBMEN1KMT2AICMTCNR2
SCHEMBL5154462 0.71 KMT2A (0.42) POLBMEN1KMT2AICMTUSP2
SCHEMBL17176648 0.70 RAB9A (0.64) POLBMEN1KMT2ACNR2HTR3A
SCHEMBL4601912 0.68 SCN9A (0.50) POLBMEN1KMT2AUSP2TSHR
SCHEMBL28247078 0.67 PRMT5 (0.48) POLBMEN1KMT2AICMTUSP2
SCHEMBL17170689 0.67 TSHR (0.67) POLBMEN1KMT2ATSHRCNR2
SCHEMBL21600839 0.66 MEN1 (0.47) POLBMEN1KMT2ATSHRCNR2
SCHEMBL29277385 0.66 POLB (0.60) POLBMEN1KMT2AALDH1A1RAB9A
SCHEMBL10244867 0.64 CYP19A1 (0.50) MEN1KMT2AICMTUSP2TSHR
SCHEMBL11712972 0.64 MEN1 (0.45) POLBMEN1KMT2ATSHRCNR2

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-9695195-B2 5-HT3 receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-07-04 — — US disclosed
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