SCHEMBL9425286

SCHEMBL9425286

Cc1cc(C(N)=S)nc(-c2cc(C)cc(C(N)=S)n2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BAZ2B Q9UIF8 2/20 0.33
▸ NOS3 P29474 2/20 0.32
▸ NOS1 P29475 2/20 0.32
▸ NOS2 P35228 2/20 0.32
▸ PRSS1 P07477 1/20 0.32
▸ PRSS2 P07478 1/20 0.32
▸ C1S P09871 1/20 0.32
▸ PRSS3 P35030 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ GAA P10253 3/20 0.31
▸ MAPT P10636 3/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ HPGD P15428 1/20 0.30

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
SCHEMBL9426187 0.78 PRSS1 (0.46) NOS3NOS1NOS2PRSS1PRSS2
SCHEMBL9426333 0.78 LMNA (0.48) GAAALDH1A1KDM4ELMNAL3MBTL1
Hydrochloric Acid SCHEMBL9426233 0.77 PRSS1 (0.45) NOS3NOS1NOS2PRSS1PRSS2
SCHEMBL28724676 0.68 PLAU (0.48) BAZ2BNOS3NOS1NOS2MAPT
Thiourea SCHEMBL28925187 0.67 ALDH1A1 (0.53) PRSS1PRSS2C1SPRSS3GAA
SCHEMBL9425438 0.67 CCR1 (0.31) NOS3NOS1NOS2PRSS1PRSS2
SCHEMBL9425718 0.67 NOS3 (0.32) BAZ2BNOS3NOS2PRSS1PRSS2
SCHEMBL24121412 0.65 PRSS1 (0.52) NOS3NOS1NOS2PRSS1PRSS2
SCHEMBL7718641 0.65 LMNA (0.54) LMNA
SCHEMBL18210628 0.64 PDE2A (0.44) ALDH1A1KDM4ELMNASMN1; SMN2HPGD

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
US-5354761-A Antiprotozoa agents CIBA-GEIGY CORP. (US) 1994-10-11 — — US disclosed
EP-0495749-A1 Bipyridines CIBA-GEIGY AG (CH) 1992-07-22 — — EP disclosed
Send feedback