SCHEMBL28138608

SCHEMBL28138608

CCCc1cc(CN)c(O)c(CN)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
BACE1 P56817 1/20 0.40
DHFR P00374 2/20 0.39
GABRA1 P14867 5/20 0.38
GABRB2 P47870 5/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
PTGS2 P35354 3/20 0.38
CYP3A4 P08684 1/20 0.38
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALOX5 P09917 1/20 0.36
HMGCR P04035 1/20 0.34

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
SCHEMBL27790733 0.88 GABRA1 (0.47) CNR1CNR2BACE1DHFRGABRA1
SCHEMBL27898596 0.87 CSNK2A1 (0.36) CNR1CNR2BACE1GABRA1GABRB2
Hydrochloric Acid SCHEMBL11677348 0.85 TTR (0.34) CNR1CNR2BACE1DHFRGABRA1
SCHEMBL24425959 0.84 NPC1 (0.48) PTGS2CYP3A4NPC1HPGDMAPK1
SCHEMBL1023215 0.84 DHFR (0.45) CNR1CNR2DHFRGABRA1GABRB2
SCHEMBL27900892 0.84 HSPA5 (0.56) DHFRCYP3A4HPGDMAPK1HTT
SCHEMBL24114707 0.82 PTPN1 (0.46) BACE1GABRA1GABRB2GABRA5GABRA3
SCHEMBL1023550 0.82 DHFR (0.47) CNR1CNR2BACE1DHFRGABRA1
SCHEMBL4452928 0.80 SHBG (0.50) CNR1CNR2DHFRGABRA1GABRB2
Hydrochloric Acid SCHEMBL10640368 0.80 CA2 (0.40) CNR1CNR2BACE1DHFRGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106681104-A A photosensitive resin composition, a manufacturing method thereof, a light-shielding film, a manufacturing method of the light-shielding film, a liquid crystal display and a manufacturing method of the liquid crystal display 新日铁住金化学株式会社 2017-05-17 CN disclosed