SCHEMBL9201467

SCHEMBL9201467

Cc1cccc(C)c1OCCN

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 9/20 0.55
SCN8A Q9UQD0 4/20 0.53
LMNA P02545 2/20 0.53
SCN1A P35498 2/20 0.53
SCN5A Q14524 2/20 0.53
SCN9A Q15858 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2D6 P10635 2/20 0.53
TSHR P16473 2/20 0.53
NFKB1 P19838 2/20 0.53
CYP2C9 P11712 1/20 0.53
KCNK3 O14649 1/20 0.53
CACNA1F O60840 1/20 0.53
KCNK2 O95069 1/20 0.53
GBA1 P04062 1/20 0.53
MAOA P21397 1/20 0.53
HTR2A P28223 1/20 0.53
SLC6A4 P31645 1/20 0.53
HTR2B P41595 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
SCHEMBL6928489 0.89 SCN4A (0.53) SCN4ASCN8ALMNASCN1ASCN5A
SCHEMBL10926972 0.87 ALDH1A1 (0.53) SCN4ASCN8ALMNASCN1ASCN5A
SCHEMBL21601403 0.86 KDM4E (0.61) SCN4ASCN8ALMNASCN1ASCN5A
Hydrochloric Acid SCHEMBL21595745 0.85 KDM4E (0.59) SCN4ASCN8ALMNASCN1ASCN5A
SCHEMBL29057024 0.80 ALDH1A1 (0.57) CYP3A4CYP2C9ALDH1A1KDM4ETAAR1
SCHEMBL1991553 0.79 ALDH1A1 (0.52) SCN4ASCN8ALMNASCN1ASCN5A
SCHEMBL22305220 0.78 TSHR (0.55) SCN4ASCN8ALMNASCN1ASCN5A
SCHEMBL15089976 0.77 ALDH1A1 (0.50) SCN4ASCN8ALMNASCN1ASCN5A
SCHEMBL4382775 0.77 ALDH1A1 (0.55) SCN4ASCN8ALMNASCN1ASCN5A
Ammonia Solution, Strong SCHEMBL8858388 0.77 ALDH1A1 (0.50) SCN4ASCN8ALMNASCN1ASCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019244066-A2 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2019-12-26 WO disclosed
WO-2019244066-A2 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2019-12-26 WO disclosed
EP-0403703-B1 Maleimide derivative, process for the preparation thereof, and agricultural and horticultural fungicide containing said maleimide derivative as active ingredient SUNTORY LTD (JP) 1995-09-06 EP disclosed
EP-0403703-A1 Maleimide derivative, process for the preparation thereof, and agricultural and horticultural fungicide containing said maleimide derivative as active ingredient SUNTORY LIMITED (JP) 1990-12-27 EP disclosed
US-4945104-A Maleimide derivatives and use thereof in agricultural and horticultural fungicides SUNTORY LIMITED (JP) 1990-07-31 US disclosed
EP-0183147-A2 Beta-substituted aminophenethylazol derivatives NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-06-04 EP disclosed