SCHEMBL8723967

SCHEMBL8723967

OCCc1nc(-c2ccccc2)c[nH]1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
ALPL P05186 2/20 0.37
ADORA2A P29274 4/20 0.37
ADORA1 P30542 4/20 0.37
ADORA3 P0DMS8 3/20 0.37
CYP3A4 P08684 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALPI P09923 1/20 0.36
ALPG P10696 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDGFRB P09619 1/20 0.35
CDC7 O00311 1/20 0.35
ALK Q9UM73 1/20 0.35

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
SCHEMBL22585911 0.90 ALDH1A1 (0.37) NOTUMSMN1; SMN2MEN1RAB9AKMT2A
SCHEMBL4878975 0.85 NOTUM (0.44) NOTUMSMN1; SMN2MEN1RAB9AKMT2A
SCHEMBL5500501 0.82 SMN1; SMN2 (0.38) SMN1; SMN2MEN1RAB9AKMT2AADORA2A
SCHEMBL12068347 0.82 GSK3B (0.49) SMN1; SMN2MEN1RAB9AKMT2AL3MBTL1
SCHEMBL25610999 0.82 SMN1; SMN2 (0.38) SMN1; SMN2MEN1RAB9AKMT2AADORA2A
SCHEMBL1917870 0.82 ADORA3 (0.50) SMN1; SMN2MEN1RAB9AKMT2AADORA2A
SCHEMBL14895111 0.82 LOXL2 (0.47) NOTUMSMN1; SMN2MEN1RAB9AKMT2A
SCHEMBL28401740 0.81 CHRM1 (0.49) TDP1MEN1KMT2ACYP3A4KDM4E
SCHEMBL11097956 0.79 SSTR1 (0.43) SMN1; SMN2MEN1RAB9AKMT2AADORA2A
SCHEMBL6618330 0.79 GSK3B (0.44) SMN1; SMN2RAB9AADORA2AADORA1ADORA3

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
EP-0876370-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1998-11-11 EP disclosed
WO-1997025325-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-07-17 WO disclosed