SCHEMBL9138641

SCHEMBL9138641

CN(C)Cc1ccc2ccccc2c1CN(C)C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.66
MAPT P10636 4/20 0.66
TDP1 Q9NUW8 3/20 0.66
ALDH1A1 P00352 5/20 0.50
LMNA P02545 2/20 0.50
NPY1R P25929 1/20 0.50
MAPK1 P28482 1/20 0.50
NPY2R P49146 1/20 0.50
CYP2C19 P33261 5/20 0.48
CYP2D6 P10635 4/20 0.48
CYP1A2 P05177 4/20 0.48
ATM Q13315 1/20 0.46
KMT2A Q03164 5/20 0.45
HSD17B10 Q99714 4/20 0.44
CYP3A4 P08684 3/20 0.44
MEN1 O00255 3/20 0.44
TSHR P16473 2/20 0.44
GAA P10253 2/20 0.41
CYP2C9 P11712 3/20 0.41
CHRM2 P08172 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
SCHEMBL5737203 0.82 KDM4E (0.54) KDM4EMAPTTDP1ALDH1A1LMNA
SCHEMBL10876050 0.81 KDM4E (0.53) KDM4EMAPTTDP1ALDH1A1LMNA
SCHEMBL26621989 0.79 KDM4E (0.50) KDM4EMAPTTDP1ALDH1A1LMNA
SCHEMBL8114346 0.79 KDM4E (1.00) KDM4EMAPTTDP1ALDH1A1LMNA
SCHEMBL8535286 0.79 KDM4E (0.59) KDM4EMAPTTDP1ALDH1A1LMNA
SCHEMBL9187372 0.78 KDM4E (0.50) KDM4EMAPTTDP1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL3620025 0.78 MAPT (0.62) KDM4EMAPTTDP1ALDH1A1LMNA
SCHEMBL820553 0.78 CYP2D6 (0.77) KDM4EMAPTTDP1ALDH1A1LMNA
SCHEMBL5049991 0.78 KDM4E (0.61) KDM4EMAPTTDP1ALDH1A1LMNA
SCHEMBL31316173 0.78 CYP2D6 (0.77) KDM4EMAPTTDP1ALDH1A1LMNA

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-5419837-A Hindered amines for treating industrial water systems NALCO CHEMICAL COMPANY (US) 1995-05-30 US disclosed