SCHEMBL21723955

SCHEMBL21723955

CN(Cc1cccc(C#N)c1)c1ssc(=O)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEP1A Q16819 1/20 0.44
▸ MEP1B Q16820 1/20 0.44
▸ PDK1 Q15118 1/20 0.41
▸ GLA P06280 1/20 0.39
▸ PSEN1 P49768 1/20 0.39
▸ PSEN2 P49810 1/20 0.39
▸ APH1B Q8WW43 1/20 0.39
▸ NCSTN Q92542 1/20 0.39
▸ APH1A Q96BI3 1/20 0.39
▸ PSENEN Q9NZ42 1/20 0.39
▸ SLC6A2 P23975 2/20 0.37
▸ SLC6A4 P31645 2/20 0.37
▸ SLC6A3 Q01959 2/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ HSD17B1 P14061 1/20 0.37
▸ HSD17B2 P37059 1/20 0.37
▸ IDH1 O75874 1/20 0.37
▸ MAPK8 P45983 1/20 0.37
▸ NR3C1 P04150 1/20 0.36
▸ MRGPRX4 Q96LA9 1/20 0.36

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
SCHEMBL21723951 0.83 PYCR1 (0.48) —
SCHEMBL21724535 0.81 PYCR1 (0.46) —
SCHEMBL21723933 0.81 MEN1 (0.46) SLC6A3HSD17B1HSD17B2MAOBMEN1
SCHEMBL10852766 0.80 RAB9A (0.46) MEN1KMT2A
SCHEMBL21724485 0.79 SMN1; SMN2 (0.47) HSD17B2MEN1KMT2A
SCHEMBL21723766 0.78 ALDH1A1 (0.43) MEN1KMT2A
SCHEMBL21723910 0.77 PYCR1 (0.52) —
SCHEMBL21724766 0.74 TACR1 (0.38) —
SCHEMBL21723980 0.74 CA2 (0.45) HSD17B2
SCHEMBL8262004 0.73 MRGPRX4 (0.47) MEP1AMEP1BPDK1GLAPSEN1

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
WO-2020035826-A1 1,2-DITHIOLONE COMPOUNDS AND USE THEREOF PI INDUSTRIES LTD. (IN) 2020-02-20 — — WO claimed
WO-2020035826-A1 1,2-DITHIOLONE COMPOUNDS AND USE THEREOF PI INDUSTRIES LTD. (IN) 2020-02-20 — — WO disclosed
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