SCHEMBL11831963

SCHEMBL11831963

CC=CCOC1c2ccccc2Oc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.49
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
USP2 O75604 1/20 0.37
HTR2A P28223 4/20 0.36
HTR2C P28335 4/20 0.36
HRH1 P35367 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ATM Q13315 2/20 0.35
POLB P06746 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
SCHEMBL11831960 1.00 KCNA3 (0.49) KCNA3MAOAMAOBMEN1KMT2A
SCHEMBL11830893 0.85 KCNA3 (0.48) KCNA3MAOAMAOBMEN1KMT2A
SCHEMBL11830884 0.85 KCNA3 (0.48) KCNA3MAOAMAOBMEN1KMT2A
SCHEMBL11830227 0.79 KCNA3 (0.51) KCNA3MAOAMAOBMEN1KMT2A
SCHEMBL11831891 0.79 KCNA3 (0.48) KCNA3MAOAMAOBMEN1KMT2A
SCHEMBL171011 0.77 KCNA3 (0.56) KCNA3MAOAMAOBMEN1KMT2A
SCHEMBL11824800 0.72 KMT2A (0.45) KCNA3MAOAMAOBMEN1KMT2A
SCHEMBL11829084 0.70 KCNA3 (0.40) KCNA3MAOAMAOBMEN1KMT2A
SCHEMBL11829034 0.70 NR3C1 (0.45) KCNA3MEN1KMT2AHTR2AHTR2C
SCHEMBL11833577 0.70 HTR2A (0.49) KCNA3MEN1KMT2AHTR2AHTR2C

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
US-3961069-A ANTISECRETORY AGENTS, GASTRIC ACID SMITHKLINE CORPORATION (US) 1976-06-01 US disclosed