SCHEMBL9587100

SCHEMBL9587100

CCOC(=O)c1ncsc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
KDM4E B2RXH2 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
HSP90AA1 P07900 1/20 0.52
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
ADORA1 P30542 1/20 0.45
MLYCD O95822 2/20 0.45
DHODH Q02127 1/20 0.43
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL9586081 0.85 MAPT (0.55) MAPTKDM4EMEN1KMT2AADORA1
SCHEMBL9585524 0.85 GRM6 (0.52) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL9585434 0.85 TARBP2 (0.51) MAPTKDM4EMEN1KMT2AGAA
SCHEMBL13398615 0.84 CDC7 (0.53) MAPTKDM4EMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL10670020 0.83 CDC7 (0.52) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL9587129 0.83 TARBP2 (0.53) MAPTKDM4EPOLBNPC1RAB9A
SCHEMBL2301473 0.82 KDM4E (0.62) MAPTKDM4EKMT2AGAANPC1
SCHEMBL9585805 0.82 TARBP2 (0.54) MAPTKDM4EMEN1KMT2AHSP90AA1
SCHEMBL23205242 0.81 NPC1 (0.43) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL9586349 0.80 PRKCZ (0.43) MAPTKDM4ENPC1RAB9ASMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105408325-B cyanotriazole compounds 大塚制药株式会社 2019-10-22 CN disclosed
CN-105408325-A Cyanotriazole compounds OTSUKA PHARMA CO LTD 2016-03-16 CN disclosed
US-5204482-A Ethylenediamine monoamide heteroaryl derivatives HOFFMAN-LAROCHE INC. (US) 1993-04-20 US disclosed
US-5011849-A Monoamine oxidase inhibitors HOFFMANN-LA ROCHE INC. (US) 1991-04-30 US disclosed