SCHEMBL6530596

SCHEMBL6530596

C=CCC(c1ccccc1)[N+](C)(C)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP2C19 P33261 1/20 0.41
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TSHR P16473 1/20 0.34
DNM1 Q05193 2/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
SLC6A2 P23975 2/20 0.32
TAAR1 Q96RJ0 2/20 0.32
MAOA P21397 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
Hydrochloric Acid SCHEMBL16714236 0.98 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1KDM4ETDP1CYP2C19
SCHEMBL250446 0.83 CYP2C19 (0.43) SMN1; SMN2ALDH1A1KDM4ECYP2C19ATM
Hydrochloric Acid SCHEMBL44634 0.82 KMT2A (0.38) SMN1; SMN2ALDH1A1KDM4ETDP1CYP2C19
Bromide SCHEMBL5330548 0.81 CYP2C19 (0.42) SMN1; SMN2ALDH1A1KDM4ECYP2C19ATM
Hydrochloric Acid SCHEMBL859875 0.81 CYP2C19 (0.42) SMN1; SMN2ALDH1A1KDM4ECYP2C19ATM
Hydrochloric Acid SCHEMBL246821 0.81 CYP2C19 (0.42) SMN1; SMN2ALDH1A1KDM4ECYP2C19ATM
SCHEMBL4540188 0.80 CYP2C19 (0.47) SMN1; SMN2ALDH1A1KDM4ECYP2C19ATM
Hydrochloric Acid SCHEMBL10776153 0.79 CYP2C19 (0.46) SMN1; SMN2ALDH1A1KDM4ETDP1CYP2C19
Bromide SCHEMBL11307528 0.79 CYP2C19 (0.46) SMN1; SMN2ALDH1A1KDM4ECYP2C19ATM
Hydrochloric Acid SCHEMBL2841545 0.78 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1KDM4ETDP1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268527-B2 Toner, developer, developing device, process cartridge, image forming apparatus, image forming method, and method of manufacturing toner RICOH COMPANY, LIMITED (JP) 2012-09-18 US disclosed
US-20110053063-A1 TONER, DEVELOPER, DEVELOPING DEVICE, PROCESS CARTRIDGE, IMAGE FORMING APPARATUS, IMAGE FORMING METHOD, AND METHOD OF MANUFACTURING TONER RICOH COMPANY LIMITED (JP) 2011-03-03 US disclosed