SCHEMBL9815940

SCHEMBL9815940

CCCCCCCCOc1ccc(-c2ccc(=O)[nH]n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.64
HRH3 Q9Y5N1 5/20 0.62
LMNA P02545 2/20 0.60
CYP1A2 P05177 4/20 0.58
CYP2D6 P10635 3/20 0.58
CYP19A1 P11511 3/20 0.58
CYP2C9 P11712 3/20 0.58
CYP2C19 P33261 3/20 0.58
CHRM2 P08172 1/20 0.57
SLC6A2 P23975 1/20 0.57
ADRA1A P35348 1/20 0.57
HTR3A P46098 1/20 0.57
SLC6A3 Q01959 1/20 0.57
KCNH2 Q12809 1/20 0.57
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALPL P05186 1/20 0.53

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
SCHEMBL10196775 0.96 HRH3 (0.66) MAPTHRH3LMNACYP1A2CYP2D6
SCHEMBL10963711 0.90 LMNA (0.65) MAPTHRH3LMNACYP1A2CYP2D6
SCHEMBL8791883 0.84 HRH3 (0.63) MAPTHRH3LMNACYP1A2CYP2D6
SCHEMBL3604079 0.84 HRH3 (0.66) MAPTHRH3LMNACYP1A2CYP2D6
SCHEMBL10969675 0.84 LMNA (0.69) MAPTHRH3LMNACYP1A2CYP2D6
Bromide SCHEMBL8100697 0.83 HRH3 (0.62) MAPTHRH3LMNACYP1A2CYP2D6
Bromide SCHEMBL8110043 0.82 HRH3 (0.63) MAPTHRH3LMNACYP1A2CYP2D6
SCHEMBL7306800 0.81 HRH3 (0.62) MAPTHRH3LMNACYP1A2CYP2D6
SCHEMBL10967350 0.81 LMNA (0.60) MAPTHRH3LMNACYP1A2CYP2D6
SCHEMBL9815929 0.80 MAPT (0.97) MAPTHRH3LMNACYP1A2ALDH1A1

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
EP-0160416-B1 SUBSTITUTED PYRIDAZINES Chisso Corporation (JP) 1991-09-11 EP disclosed
US-4657695-A FERROELECTRIC LIQUIDS CRYSTALS CHISSO CORPORATION (JP) 1987-04-14 US disclosed
EP-0160416-A2 Substituted pyridazines Chisso Corporation (JP) 1985-11-06 EP disclosed