SCHEMBL17586502

SCHEMBL17586502

Cc1ccnc(CSc2nc3cc(-n4cccc4)ccc3[nH]2)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.47
CYP2D6 P10635 3/20 0.47
CYP2C9 P11712 3/20 0.47
CYP2C19 P33261 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
CYP3A4 P08684 2/20 0.47
BRS3 P32247 1/20 0.41
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
PDE10A Q9Y233 1/20 0.39
CYP2E1 P05181 2/20 0.39
CYP2C8 P10632 2/20 0.39
CYP2B6 P20813 2/20 0.39
LMNA P02545 3/20 0.38
KDM4E B2RXH2 2/20 0.37
GFER P55789 2/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 3/20 0.37

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
SCHEMBL12200911 0.90 CYP1A2 (0.46) CYP1A2CYP2D6CYP2C9CYP2C19NPC1
SCHEMBL27430931 0.89 RAB9A (0.47) CYP1A2CYP2D6CYP2C9CYP2C19NPC1
SCHEMBL2385445 0.88 CYP2D6 (0.53) CYP1A2CYP2D6CYP2C9CYP2C19NPC1
SCHEMBL5058711 0.85 CYP1A2 (0.42) CYP1A2CYP2D6CYP2C9CYP2C19NPC1
SCHEMBL31361960 0.84 CYP2C9 (0.52) CYP1A2CYP2D6CYP2C9CYP2C19NPC1
SCHEMBL17586501 0.81 RAB9A (0.67) CYP1A2CYP2D6CYP2C9CYP2C19NPC1
SCHEMBL30819141 0.80 CYP2D6 (0.53) CYP1A2CYP2D6CYP2C9CYP2C19NPC1
SCHEMBL12253450 0.77
SCHEMBL10712742 0.74 BRS3 (0.43) CYP1A2CYP2D6CYP2C9CYP2C19NPC1
SCHEMBL26762537 0.74 BRS3 (0.52) CYP1A2CYP2D6CYP2C9CYP2C19NPC1

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-9422534-B2 Synthesis of prazole compounds CODEXIS, INC. (US) 2016-08-23 US disclosed
US-20160076008-A1 SYNTHESIS OF PRAZOLE COMPOUNDS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2016-03-17 US disclosed