SCHEMBL9253882

SCHEMBL9253882

COc1ccc2oc(CCN)nc(=O)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
KDM4E B2RXH2 5/20 0.51
HPGD P15428 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
MAPT P10636 4/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
HSD17B10 Q99714 3/20 0.47
DYRK1A Q13627 1/20 0.46
MAOA P21397 1/20 0.46
NQO1 P15559 1/20 0.45
PPARG P37231 1/20 0.44
MAPK1 P28482 1/20 0.44
TP53 P04637 2/20 0.44
NFKB1 P19838 2/20 0.44
LMNA P02545 1/20 0.44

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
Hydrochloric Acid SCHEMBL9157732 0.99 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL9253748 0.89 KDM4E (0.48) ALDH1A1KDM4EHPGDMAPTNPC1
Hydrochloric Acid SCHEMBL9156668 0.88 KDM4E (0.47) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL9159270 0.80 MTNR1A (0.65) MTNR1AMTNR1BHTR2C
SCHEMBL9244953 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL18397738 0.71 PPARG (0.65) ALDH1A1KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL9119624 0.71 SMN1; SMN2 (0.54) ALDH1A1KDM4EHPGDSMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL18397733 0.70 LOXL2 (0.66) ALDH1A1KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL9253876 0.70 MAPT (0.51) ALDH1A1KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL9162577 0.70 MTNR1A (0.56) SMN1; SMN2MTNR1AMTNR1BHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5386034-A Treatment of sleeping, psychological and nervous system disorders; anxiolytic agents, ovulation regulators ADIR ET COMPAGNIE (FR) 1995-01-31 US disclosed
US-5322849-A Treating sleep disorders ADIR ET COMPAGNIE (FR) 1994-06-21 US disclosed
US-5300507-A Treating sleep disorders ADIR ET COMPAGNIE (FR) 1994-04-05 US disclosed
US-5240919-A Treating sleep disorders ADIR ET COMPAGNIE (FR) 1993-08-31 US disclosed