SCHEMBL25008323

SCHEMBL25008323

CC/N=C(\S)n1c2ccccc2c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.46
P2RX4 Q99571 1/20 0.39
GPR3 P46089 1/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTR7 P34969 4/20 0.37
TSPO P30536 1/20 0.37
KDM4E B2RXH2 4/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BACE1 P56817 2/20 0.36
RAD52 P43351 1/20 0.36
PKM P14618 1/20 0.36
ALDH1A1 P00352 1/20 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
SCHEMBL4160472 0.67 POLB (0.50) POLBP2RX4GPR3LMNAMAPT
SCHEMBL10773962 0.67 POLB (0.61) POLBP2RX4LMNAMAPTHTT
SCHEMBL5181731 0.64 HTR7 (0.51) POLBP2RX4GPR3LMNAMAPT
SCHEMBL29469528 0.64 NTRK1 (0.58) POLBLMNAMAPTHTTCYP1A2
SCHEMBL1002968 0.64 NTRK1 (0.58) POLBLMNAMAPTHTTCYP1A2
SCHEMBL2122017 0.63 POLB (0.61) POLBP2RX4GPR3LMNAMAPT
SCHEMBL10031394 0.63 POLB (0.61) POLBP2RX4GPR3LMNAMAPT
SCHEMBL31392936 0.63 POLB (0.61) POLBP2RX4GPR3LMNAMAPT
SCHEMBL153365 0.63 POLB (1.00) POLBP2RX4GPR3LMNAMAPT
SCHEMBL31392935 0.63 POLB (0.61) POLBP2RX4GPR3LMNAMAPT

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
WO-2023012711-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-02-09 WO disclosed