SCHEMBL9490930

SCHEMBL9490930

COc1ccc2ccc(CCNC=O)cc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
CYP1A2 P05177 2/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
NPC1 O15118 1/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
CYP3A4 P08684 1/20 0.52
MAOA P21397 1/20 0.52
SLC6A2 P23975 1/20 0.52
RAB9A P51151 1/20 0.52
SLC6A3 Q01959 1/20 0.52
PTGS2 P35354 1/20 0.52
RAD52 P43351 1/20 0.49
PAX8 Q06710 1/20 0.49
PTGS1 P23219 1/20 0.48
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
CYP2A6 P11509 1/20 0.43

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
SCHEMBL2467062 0.82 SMN1; SMN2 (0.57) SMN1; SMN2MAPTCHRM2MEN1KMT2A
SCHEMBL14756184 0.81 CHRM2 (0.63) SLC2A1SMN1; SMN2CYP1A2MAPTKDM4E
SCHEMBL761211 0.81 CA12 (0.49) CYP1A2RAB9ACYP2A6
SCHEMBL2473241 0.80 CHRM2 (0.66) KDM4ECHRM2CHRM1CHRM3MEN1
SCHEMBL616311 0.80 CYP1A2 (0.59) SLC2A1SMN1; SMN2CYP1A2MAPTKDM4E
SCHEMBL9491759 0.78 SMN1; SMN2 (0.70) SMN1; SMN2CYP1A2MAPTKDM4ENPC1
SCHEMBL9667596 0.78 CHRM2 (0.67) SLC2A1SMN1; SMN2CYP1A2MAPTKDM4E
SCHEMBL11746659 0.78 PTGS1 (0.56) SLC2A1SMN1; SMN2CYP1A2MAPTKDM4E
SCHEMBL15980804 0.78 SMN1; SMN2 (0.51) SLC2A1SMN1; SMN2CYP1A2MAPTKDM4E
Hydrochloric Acid SCHEMBL11280297 0.77 RAD52 (0.56) SLC2A1SMN1; SMN2CYP1A2MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5225442-A Melatoninergic disorders ADIR ET COMPAGNIE (FR) 1993-07-06 US disclosed
EP-0447285-B1 NAPHTHALENE DERIVATIVES, PROCEDURE FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 1993-05-12 EP disclosed
EP-0447285-A1 Naphthalene derivatives, procedure for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1991-09-18 EP disclosed