SCHEMBL9348603

SCHEMBL9348603

C=CCNC(=O)O.NCCN1CCNC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 5/20 0.41
LMNA P02545 1/20 0.41
RET P07949 1/20 0.36
KDR P35968 1/20 0.36
POLB P06746 2/20 0.34
FPR3 P25089 2/20 0.33
FPR2 P25090 2/20 0.33
CREBBP Q92793 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL27780 0.77
SCHEMBL6881865 0.76 RAB9A (0.40) RAB9AKMT2AKDM4EALDH1A1LMNA
Ammonia Solution, Strong SCHEMBL1579773 0.75 ALDH1A1 (0.43) RAB9AKMT2AKDM4EALDH1A1LMNA
Trichloroacetic Acid SCHEMBL11182990 0.75 ALDH1A1 (0.41) RAB9AKMT2AKDM4EALDH1A1LMNA
SCHEMBL5654310 0.75 KMT2A (0.62) RAB9AKMT2AKDM4EALDH1A1LMNA
Trifluoroacetic Acid SCHEMBL3273676 0.74 ALDH1A1 (0.40) RAB9AKMT2AKDM4EALDH1A1LMNA
SCHEMBL7913464 0.72 ALDH1A1 (0.43) RAB9AKMT2AKDM4EALDH1A1LMNA
SCHEMBL975894 0.70 KMT2A (0.53) RAB9AKMT2AKDM4EALDH1A1LMNA
SCHEMBL20656243 0.70 SCN9A (0.40) RAB9AKMT2AKDM4EALDH1A1LMNA
SCHEMBL514525 0.69 KMT2A (0.53) RAB9AKMT2AKDM4EALDH1A1LMNA

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
EP-0421185-B1 Polyacrylate copolymer, polyacrylate dispersion comprising polyacrylate copolymer, and process for preparing the same HERCULES INC (US) 1994-08-10 EP disclosed
EP-0421185-A1 Polyacrylate copolymer, polyacrylate dispersion comprising polyacrylate copolymer, and process for preparing the same HERCULES INCORPORATED (US) 1991-04-10 EP disclosed