SCHEMBL11519345

SCHEMBL11519345

COc1ccc2c(c1)C(C)(C)C(CC#N)N2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.41
ALDH1A1 P00352 2/20 0.34
PDE7A Q13946 1/20 0.34
NQO2 P16083 2/20 0.33
PGR P06401 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP3A4 P08684 1/20 0.33
AKR1B1 P15121 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL11516040 0.77 SNCA (0.39) SNCAALDH1A1SMN1; SMN2SIGMAR1
SCHEMBL7092850 0.74 SNCA (0.43) SNCAALDH1A1PDE7AAKR1B1MEN1
SCHEMBL11517416 0.74 ALDH1A1 (0.41) SNCAALDH1A1PDE7ANQO2CYP3A4
SCHEMBL11515095 0.72 C3AR1 (0.41) SNCAALDH1A1PDE7ACYP2C9CYP2C19
SCHEMBL11515792 0.72 GRIN1 (0.41) ALDH1A1MEN1MAPTKMT2ATDP1
SCHEMBL947797 0.69 NQO2 (0.58) SNCAALDH1A1NQO2PGRLMNA
SCHEMBL11516036 0.67 SNCA (0.40) SNCAALDH1A1PDE7APGRAKR1B1
SCHEMBL11513616 0.66 NQO2 (0.39) ALDH1A1NQO2MEN1KMT2ABCHE
SCHEMBL11517197 0.65 MAPT (0.40) SNCAALDH1A1PGRMEN1LMNA
SCHEMBL12083002 0.65 ACHE (0.67) PDE7ATSHRCYP3A4MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4145537-A BENZOTHIAZOLIUM DYES BAYER AKTIENGESELLSCHAFT (DE) 1979-03-20 US disclosed