SCHEMBL6258086

SCHEMBL6258086

Cc1sc(N)nc1C(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.52
MAPT P10636 4/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPK1 P28482 2/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 5/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
SCN4A P35499 1/20 0.36
CYP1A2 P05177 1/20 0.33
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
CD274 Q9NZQ7 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL18898666 0.78 SMN1; SMN2 (0.37) NOS1MAPTHSD17B10MAPK1GAA
SCHEMBL10986635 0.76 FBP1 (0.37) NOS1MAPTHSD17B10MAPK1GAA
SCHEMBL25077606 0.76 NOS1 (0.42) NOS1MAPTHSD17B10MAPK1GAA
SCHEMBL1980441 0.76 NOS1 (0.42) NOS1MAPTHSD17B10MAPK1GAA
SCHEMBL2600752 0.75 ALDH1A1 (0.31) MAPTHSD17B10ALDH1A1SMN1; SMN2RAB9A
SCHEMBL20346770 0.74 SMN1; SMN2 (0.35) NOS1ALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL404505 0.74 MEN1 (0.37) NOS1MAPTHSD17B10SMN1; SMN2RAB9A
SCHEMBL14803850 0.74 SMN1; SMN2 (0.35) NOS1ALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL2176709 0.74 NPC1 (0.35) NOS1SMN1; SMN2RAB9ANPC1SCN4A
SCHEMBL14226108 0.73 TLR8 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023141262-A1 BAX ACTIVATORS AND USE THEREOF IPSEN PHARMA S.A.S. (FR) 2023-07-27 WO disclosed
WO-2020002091-A1 SUBSTITUTED THIAZOLYLPYRROLONES, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2020-01-02 WO disclosed
WO-2020002091-A1 SUBSTITUTED THIAZOLYLPYRROLONES, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2020-01-02 WO disclosed
US-7166593-B2 Glucocorticoid receptor modulators PFIZER, INC. (US) 2007-01-23 US disclosed
WO-2005080406-A2 COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF JERINI AG (DE) 2005-09-01 WO disclosed