SCHEMBL11240932

SCHEMBL11240932

Nc1cccc(OCc2ccc(Cl)nc2)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.59
APP P05067 1/20 0.59
CYP3A4 P08684 2/20 0.47
TP53 P04637 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TERT O14746 5/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 2/20 0.44
TSHR P16473 1/20 0.42
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
F2 P00734 1/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
NR4A2 P43354 1/20 0.40

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
SCHEMBL21384019 0.84 RXRA (0.56) MAOBNPC1RAB9AALDH1A1TERT
SCHEMBL4569964 0.82 MAOB (0.50) MAOBNPC1RAB9AALDH1A1TERT
SCHEMBL4638746 0.81 MAOB (0.72) MAOBAPPCYP3A4TP53CYP1A2
SCHEMBL11246679 0.81 RAB9A (0.58) MAOBAPPNPC1RAB9AALDH1A1
SCHEMBL4569961 0.80 NPC1 (0.57) MAOBAPPNPC1RAB9AALDH1A1
SCHEMBL27574834 0.79 NPC1 (0.50) CYP3A4NPC1RAB9AALDH1A1TERT
SCHEMBL14358096 0.78 MRGPRX4 (0.52) MAOBNPC1RAB9AALDH1A1POLB
SCHEMBL11087733 0.78 MAOB (0.63) MAOBAPPCYP3A4TP53NPC1
SCHEMBL1168313 0.77 NR4A2 (0.71) MAOBNPC1RAB9ARXRARXRB
SCHEMBL3998456 0.77 MAOB (0.66) MAOBAPPCYP3A4TP53

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-4332944-A Compositions and use ZOECON CORPORATION (US) 1982-06-01 US disclosed