SCHEMBL23630293

SCHEMBL23630293

N#CC(C#N)C(=O)C1(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SSTR1 P30872 1/20 0.40
SSTR4 P31391 1/20 0.40
CTSC P53634 1/20 0.39
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
POLB P06746 1/20 0.38
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
ALDH1A1 P00352 4/20 0.35
NPC1 O15118 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 2/20 0.34
DPP4 P27487 1/20 0.34
FAP Q12884 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
HTT P42858 1/20 0.34
AMPD2 Q01433 1/20 0.33

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
SCHEMBL23630306 0.75 SSTR1 (0.46) SSTR1SSTR4MEN1KMT2APOLB
SCHEMBL11296862 0.74 OPRM1 (0.49) SSTR1SSTR4MEN1KMT2APOLB
SCHEMBL9768235 0.74 SSTR1 (0.48) SSTR1SSTR4MEN1KMT2APOLB
SCHEMBL23630299 0.73 HSD11B1 (0.47) KMT2AALDH1A1L3MBTL1LMNAHTT
SCHEMBL9768219 0.72 GSK3B (0.44) SSTR1SSTR4MEN1KMT2APOLB
SCHEMBL23635324 0.72 SSTR1 (0.36) SSTR1SSTR4MEN1KMT2APOLB
SCHEMBL23630295 0.71 ALDH1A1 (0.40) SSTR1SSTR4CTSCMEN1KMT2A
SCHEMBL28521200 0.70 CNR2 (0.45) CTSCMEN1KMT2APOLBALDH1A1
SCHEMBL9768233 0.68 ATF4 (0.54) MEN1KMT2APOLBNPC1LMNA
SCHEMBL6831516 0.68 CA1 (0.50) ALDH1A1NPC1L3MBTL1LMNA

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
WO-2021142420-A1 PYRAZOLO[1,5-a]PYRIMIDIN-7(4H)-ONE INHIBITORS OF DYNEIN KAPOOR TARUN M (US) 2021-07-15 WO disclosed