SCHEMBL21186393

SCHEMBL21186393

Nc1ccc(Oc2ccc(Cl)nc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.57
MAOB P27338 1/20 0.57
ALDH1A1 P00352 5/20 0.56
TDP1 Q9NUW8 2/20 0.56
CYP3A4 P08684 1/20 0.56
TSHR P16473 1/20 0.56
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
APAF1 O14727 1/20 0.47
MAPT P10636 4/20 0.47
TEAD4 Q15561 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
MITF O75030 1/20 0.45
GAA P10253 1/20 0.45
GFER P55789 1/20 0.45
NLRP1 Q9C000 1/20 0.45
NOD2 Q9HC29 1/20 0.45
LTA4H P09960 1/20 0.43
NPC1 O15118 1/20 0.42

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
SCHEMBL31296163 0.85 CHRNA3 (0.46)
SCHEMBL11551188 0.83 LTA4H (0.50) MAOAMAOBLTA4H
SCHEMBL11544017 0.82 KCNQ3 (0.56) MAOATSHRMEN1KMT2ASMN1; SMN2
SCHEMBL28443482 0.81 MPO (0.42) MAOAMAOBALDH1A1TDP1CYP3A4
SCHEMBL3652757 0.80 MAOB (0.55) MAOBALDH1A1TDP1CYP3A4MEN1
SCHEMBL17930598 0.80 NPSR1 (0.49) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL28438899 0.80 MEN1 (0.56) MEN1KMT2ALTA4HMAPK1
SCHEMBL3650668 0.80 MEN1 (0.44) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL29151147 0.79 ALDH1A1 (0.61) MAOAMAOBALDH1A1TDP1CYP3A4
SCHEMBL30777313 0.79 ALDH1A1 (0.61) MAOAMAOBALDH1A1TDP1CYP3A4

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-2019141980-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2019-07-25 WO disclosed