SCHEMBL21392038

SCHEMBL21392038

CCC(F)(C(=O)O)c1ccnc(N(Cc2ccc(OC)cc2)SC2CC2)n1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TRPM8 Q7Z2W7 3/20 0.34
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
TAS2R14 Q9NYV8 3/20 0.34
PTGES O14684 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ASPH Q12797 1/20 0.33
KDM8 Q8N371 1/20 0.33
LMNA P02545 1/20 0.33
MLYCD O95822 1/20 0.33
OPRM1 P35372 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
SCHEMBL22762439 0.84 LMNA (0.33) MAPTUSP2TSHRLMNA
SCHEMBL21392292 0.83 ALDH1A1 (0.35) MAPTUSP2TSHRKDM4EASPH
SCHEMBL29047788 0.81 TRPM8 (0.37) TRPM8TAS2R14PTGES
SCHEMBL21392335 0.81 MLYCD (0.35) MAPTSMN1; SMN2KDM4ELMNAMLYCD
SCHEMBL21392148 0.81 LMNA (0.33) MAPTUSP2TSHRTAS2R14PTGES
SCHEMBL21392076 0.79 MLYCD (0.33) MAPTKDM4ELMNAMLYCD
SCHEMBL21392333 0.78 CTPS1 (0.38) MAPTSMN1; SMN2KDM4E
SCHEMBL21392246 0.74 APLNR (0.35) SMN1; SMN2KDM4EASPHKDM8LMNA
SCHEMBL21392149 0.73 TRPM8 (0.38) TRPM8TAS2R14PTGES
SCHEMBL30416019 0.73 TRPM8 (0.38) TRPM8TAS2R14PTGES

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-2019180244-A1 AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS STEP PHARMA S.A.S. (FR) 2019-09-26 WO disclosed
WO-2019179652-A1 AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS STEP PHARMA S.A.S. (FR) 2019-09-26 WO disclosed