SCHEMBL2331598

SCHEMBL2331598

CCCCCCCCCCCC(Nc1cc(C)nc2ccccc12)Nc1cc(C)nc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.48
NCF1 P14598 2/20 0.47
HTT P42858 2/20 0.45
GALR3 O60755 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
OPRK1 P41145 1/20 0.43
CYP1A2 P05177 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL2336803 1.00 CYP2C19 (0.48) CYP2C19NCF1HTTGALR3RAB9A
SCHEMBL2331597 0.84 CYP2C19 (0.49) CYP2C19NCF1HTTGALR3RAB9A
SCHEMBL20856477 0.80 HTR1A (0.54) HTTSMN1; SMN2LMNA
SCHEMBL27895835 0.80 CYP2C19 (0.66) CYP2C19NCF1OPRK1
SCHEMBL28223102 0.80 CYP2C19 (0.66) CYP2C19NCF1OPRK1
SCHEMBL20856714 0.79 CACNA2D1 (0.54) RAB9AMEN1KMT2A
Iodide SCHEMBL6297962 0.78 CYP2C19 (0.64) CYP2C19NCF1OPRK1
SCHEMBL19009075 0.75 NR4A2 (0.59) CYP2C19NCF1HTTGALR3RAB9A
SCHEMBL16596179 0.74 ALDH1A1 (0.71) CYP2C19HTTGALR3RAB9ASMN1; SMN2
SCHEMBL15923206 0.73 NCF1 (0.63) CYP2C19NCF1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019067625-A1 IDENTIFICATION OF INHIBITORS OF TCPC AND TIR NADASE ACTIVITY WASHINGTON UNIVERSITY (US) 2019-04-04 WO disclosed
WO-2014140581-A1 TRANSCRIPTION FACTOR DECOYS PROCARTA BIOSYSTEMS LTD (GB) 2014-09-18 WO disclosed
EP-2552455-A2 TRANSCRIPTION FACTOR DECOYS Procarta Biosystems Ltd (GB) 2013-02-06 EP disclosed
EP-2533815-A1 NUCLEIC ACID COMPLEXES Procarta Biosystems Ltd (GB) 2012-12-19 EP disclosed
WO-2011121357-A2 TRANSCRIPTION FACTOR DECOYS PROCARTA BIOSYSTEMS LIMITED (GB) 2011-10-06 WO disclosed
WO-2011098829-A1 NUCLEIC ACID COMPLEXES PROCARTA BIOSYSTEMS LTD (GB) 2011-08-18 WO disclosed