SCHEMBL21436732

SCHEMBL21436732

NCC(=O)N[C@@H]1CN[C@@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 1/20 0.45
TGM2 P21980 1/20 0.45
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
EPHX1 P07099 1/20 0.45
ALDH1A1 P00352 3/20 0.44
RNF4 P78317 1/20 0.44
LTA4H P09960 4/20 0.43
MAPT P10636 3/20 0.43
RAB9A P51151 2/20 0.43
HPGD P15428 2/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
EPHX2 P34913 2/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL17770490 1.00 F13A1 (0.45) F13A1TGM2FNTAFNTBEPHX1
SCHEMBL17770491 1.00 F13A1 (0.45) F13A1TGM2FNTAFNTBEPHX1
Hydrochloric Acid SCHEMBL7722197 0.99 F13A1 (0.44) F13A1TGM2FNTAFNTBEPHX1
Hydrochloric Acid SCHEMBL7722189 0.99 F13A1 (0.44) F13A1TGM2FNTAFNTBEPHX1
SCHEMBL7734519 0.90 HDAC8 (0.42) FNTAFNTBALDH1A1LTA4HMAPT
SCHEMBL7727784 0.90 ALDH1A1 (0.45) FNTAFNTBALDH1A1MAPTHPGD
SCHEMBL21437023 0.90 ALDH1A1 (0.45) FNTAFNTBALDH1A1MAPTHPGD
Hydrochloric Acid SCHEMBL7731156 0.89 HDAC8 (0.43) FNTAFNTBALDH1A1LTA4HMAPT
Hydrochloric Acid SCHEMBL7728707 0.89 ALDH1A1 (0.44) FNTAFNTBALDH1A1MAPTHPGD
SCHEMBL7726715 0.89 FNTA (0.46) F13A1TGM2FNTAFNTBEPHX1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3773602-A1 TREATMENT OF INFECTIONS CAUSED BY NEISSERIA GONOCOCCUS USING A HALOGENATED SALICYLANILIDE UNION therapeutics A/S (DK) 2021-02-17 EP disclosed
WO-2019192968-A1 TREATMENT OF INFECTIONS CAUSED BY NEISSERIA GONOCOCCUS USING A HALOGENATED SALICYLANILIDE UNION therapeutics A/S (DK) 2019-10-10 WO disclosed