SCHEMBL18977708

SCHEMBL18977708

CCc1cc(C(=N)N)cs1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.58
RAB9A P51151 5/20 0.45
TP53 P04637 1/20 0.45
USP2 O75604 1/20 0.44
GAA P10253 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.39
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPK1 P28482 1/20 0.39
PRSS1 P07477 4/20 0.39
PRSS2 P07478 3/20 0.39
PRSS3 P35030 3/20 0.39
C1S P09871 2/20 0.39
TMPRSS15 P98073 1/20 0.38
LMNA P02545 4/20 0.37
NPC1 O15118 3/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HTT P42858 2/20 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
SCHEMBL1738243 0.82 F10 (0.42) DAOPRSS1PRSS2PRSS3C1S
Hydrochloric Acid SCHEMBL1467818 0.80 LOXL2 (0.41) DAOPRSS1PRSS2PRSS3C1S
Hydrochloric Acid SCHEMBL22468237 0.80 LOXL2 (0.41) DAOPRSS1PRSS2PRSS3C1S
SCHEMBL10163846 0.80 DAO (0.69) DAORAB9ATP53USP2GAA
SCHEMBL25364134 0.79 DAO (0.37) DAORAB9ATP53USP2PRSS1
SCHEMBL25363680 0.78 DAO (0.38) DAOPRSS1PRSS2PRSS3C1S
SCHEMBL15145113 0.77 PRSS1 (0.36) DAOPRSS1PRSS2PRSS3C1S
SCHEMBL25364308 0.77 ITGB3 (0.36) DAOPRSS1PRSS2PRSS3TMPRSS15
Hydrochloric Acid SCHEMBL26119846 0.77 DAO (0.37) DAOPRSS1PRSS3TMPRSS15
SCHEMBL26579403 0.77 PRSS1 (0.44) DAOPRSS1PRSS2PRSS3C1S

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-2023183405-A2 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMACEUTICALS, INC. (US) 2023-09-28 WO disclosed
WO-2017096472-A1 CEPHEM COMPOUNDS, THEIR PRODUCTION AND USE NAEJA-RGM PHARMACEUTICALS INC. (CA) 2017-06-15 WO disclosed