SCHEMBL11838005

SCHEMBL11838005

CCC#CCOC1c2ccccc2Oc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.48
KMT2A Q03164 8/20 0.40
MEN1 O00255 6/20 0.40
USP2 O75604 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 1/20 0.36
HTR2A P28223 4/20 0.35
HTR2C P28335 4/20 0.35
HRH1 P35367 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CHRM2 P08172 1/20 0.35
CYP2D6 P10635 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
SCHEMBL171011 0.79 KCNA3 (0.56) KCNA3KMT2AMEN1USP2MAOA
SCHEMBL11828910 0.78 KCNA3 (0.51) KCNA3KMT2AMEN1USP2MAOA
Acetic Acid SCHEMBL1176751 0.71 KCNA3 (0.51) KCNA3KMT2AMEN1USP2MAOA
SCHEMBL11830884 0.71 KCNA3 (0.48) KCNA3KMT2AMEN1USP2MAOA
SCHEMBL11830893 0.71 KCNA3 (0.48) KCNA3KMT2AMEN1USP2MAOA
SCHEMBL11828850 0.71 KCNA3 (0.42) KCNA3KMT2AMEN1USP2MAOA
SCHEMBL1127602 0.69 MAOA (0.52) KCNA3KMT2AMEN1USP2MAOA
SCHEMBL11831963 0.69 KCNA3 (0.49) KCNA3KMT2AMEN1USP2MAOA
SCHEMBL11825169 0.69 KCNA3 (0.49) KCNA3KMT2AMEN1USP2MAOA
SCHEMBL11831960 0.69 KCNA3 (0.49) KCNA3KMT2AMEN1USP2MAOA

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