SCHEMBL9626536

SCHEMBL9626536

NCCNC(=O)c1ccc(OCc2cccc(Cl)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.67
RXRA P19793 1/20 0.64
RXRB P28702 1/20 0.64
RXRG P48443 1/20 0.64
MAOB P27338 7/20 0.63
MAOA P21397 1/20 0.63
BRD4 O60885 1/20 0.58
TRPV1 Q8NER1 1/20 0.57
CYP1A2 P05177 2/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
TSHR P16473 1/20 0.56
NFKB1 P19838 1/20 0.56
ALDH1A1 P00352 1/20 0.56
POLB P06746 1/20 0.56
ALOX12 P18054 1/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MRGPRX4 Q96LA9 1/20 0.55
CYP2D6 P10635 1/20 0.55

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
SCHEMBL9628021 0.89 SPHK2 (0.66) SPHK2RXRARXRBRXRGMAOB
SCHEMBL748869 0.84 SPHK2 (0.81) SPHK2MAOBBRD4NPC1RAB9A
SCHEMBL16048236 0.83 MAOB (0.81) SPHK2RXRARXRBRXRGMAOB
SCHEMBL29784197 0.79 RXRA (1.00) RXRARXRBRXRGMAOBMAOA
SCHEMBL6522344 0.79 RXRA (1.00) RXRARXRBRXRGMAOBMAOA
SCHEMBL8935322 0.78 GID4 (0.71) RXRARXRBRXRGMAOBMAOA
SCHEMBL365474 0.78 MAOB (0.67) RXRARXRBRXRGMAOBMAOA
SCHEMBL10186209 0.78 RXRA (0.55) SPHK2RXRARXRBRXRGMAOB
SCHEMBL2655430 0.78 S1PR1 (0.55) SPHK2RXRARXRBRXRGMAOB
SCHEMBL8935243 0.78 GID4 (0.74) RXRARXRBRXRGMAOBMAOA

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-0477184-A1 INHIBITORS OF MONO-AMINE OXIDASE, PROCESS FOR THEIR PREPARATION, AND THEIR USE IN THERAPEUTICS. FOURNIER INDUSTRIE ET SANTE (FR) 1992-04-01 EP disclosed
WO-1990011997-A2 INHIBITORS OF MONO-AMINE OXIDASE, PROCESS FOR THEIR PREPARATION, AND THEIR USE IN THERAPEUTICS. FOURNIER INNOVATION ET SYNERGIE (FR) 1990-10-18 WO disclosed