SCHEMBL3215722

SCHEMBL3215722

CC(C)(C)NCc1c(C2c3ccccc3-c3ccccc32)ccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
NPBWR1 P48145 1/20 0.41
MCHR1 Q99705 1/20 0.41
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
SLC6A4 P31645 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PDCD1LG2 Q9BQ51 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 3/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
KDM1A O60341 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
SCHEMBL3202021 0.81 KMT2A (0.40) KMT2ANPBWR1MCHR1ALDH1A1KDM4E
SCHEMBL3198645 0.78 KMT2A (0.39) KMT2ANPBWR1MCHR1ALDH1A1KDM4E
SCHEMBL3216496 0.77 KMT2A (0.37) KMT2ANPBWR1MCHR1ALDH1A1KDM4E
SCHEMBL3191592 0.77 BCHE (0.44) KMT2ACYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3200642 0.76 ALDH1A1 (0.42) KMT2AALDH1A1KDM4EHPGDSLC6A4
Hydrochloric Acid SCHEMBL3264206 0.75 KDM4E (0.35) KMT2AALDH1A1KDM4ESLC6A4CYP1A2
SCHEMBL3843022 0.74 HTT (0.38) KMT2AALDH1A1KDM4EHPGDSLC6A4
Hydrochloric Acid SCHEMBL3215554 0.71 ALDH1A1 (0.35) KMT2AALDH1A1KDM4EHPGDSLC6A4
SCHEMBL3679850 0.71 PNMT (0.38) KMT2ANPBWR1MCHR1ALDH1A1KDM4E
SCHEMBL6675754 0.71 KDM1A (0.53) KMT2AALDH1A1KDM4EHPGDSLC6A4

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
US-7671226-B2 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-02 US disclosed
EP-1426379-B1 TRANSITION METAL COMPLEX,CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER WITH THE SAME SUMITOMO CHEMICAL CO (JP) 2009-11-11 EP disclosed
US-7439379-B2 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same SUMITOMO CHEMICAL CO., LTD. (JP) 2008-10-21 US disclosed