SCHEMBL9253876

SCHEMBL9253876

COc1ccc2onc(CCN)c(=O)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
HPGD P15428 3/20 0.51
NPC1 O15118 1/20 0.51
CASP3 P42574 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
MAOA P21397 2/20 0.46
MAPK1 P28482 1/20 0.44
ACHE P22303 1/20 0.43
HTR2A P28223 2/20 0.41
TSHR P16473 2/20 0.41
HTR1D P28221 2/20 0.41
HTR6 P50406 2/20 0.41
CYP1A2 P05177 1/20 0.41
HTR1A P08908 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
Hydrochloric Acid SCHEMBL9157724 0.99 MAPT (0.50) MAPTKDM4EALDH1A1HPGDNPC1
SCHEMBL8797906 0.89 NPC1 (0.46) MAPTKDM4EALDH1A1HPGDNPC1
SCHEMBL9122304 0.89 ACHE (0.51) MAPTKDM4EALDH1A1HPGDNPC1
Hydrochloric Acid SCHEMBL9156660 0.88 NPC1 (0.45) MAPTKDM4EALDH1A1HPGDNPC1
SCHEMBL8798778 0.80 MTNR1A (0.60) KDM4EALDH1A1HPGDRAB9ACYP1A2
SCHEMBL9244949 0.80 KDM4E (0.50) MAPTKDM4EALDH1A1HPGDNPC1
SCHEMBL19141722 0.80 ACHE (0.47) MAPTKDM4EALDH1A1HPGDNPC1
SCHEMBL25459991 0.76 ALDH1A1 (0.47) MAPTKDM4EALDH1A1HPGDNPC1
SCHEMBL25459999 0.75 CA2 (0.57) MAPTKDM4EALDH1A1HPGDNPC1
SCHEMBL11798029 0.74 MAPT (0.51) MAPTKDM4EALDH1A1HPGDSMN1; SMN2

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