SCHEMBL14950200

SCHEMBL14950200

CCCNc1c(NC(=O)COCC)c(Cl)nc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 4/20 0.48
KDM4E B2RXH2 8/20 0.46
ALDH1A1 P00352 4/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GLA P06280 3/20 0.45
POLB P06746 2/20 0.45
TSHR P16473 1/20 0.43
GAA P10253 4/20 0.43
MAPT P10636 1/20 0.43
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 1/20 0.40
ELANE P08246 1/20 0.39

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
SCHEMBL5800900 0.90 TOP2A (0.47) TOP2AKDM4EALDH1A1RAB9ANPC1
SCHEMBL1457271 0.87 KDM4E (0.45) TOP2AKDM4EALDH1A1RAB9ANPC1
SCHEMBL1457334 0.87 TOP2A (0.45) TOP2AKDM4EALDH1A1RAB9ANPC1
SCHEMBL24879683 0.86 KDM4E (0.44) TOP2AKDM4EALDH1A1RAB9ANPC1
SCHEMBL7637380 0.86 KDM4E (0.44) TOP2AKDM4EALDH1A1RAB9ANPC1
SCHEMBL1456618 0.85 BCHE (0.46) TOP2AKDM4EALDH1A1RAB9ANPC1
SCHEMBL8571971 0.84 KDM4E (0.43) TOP2AKDM4EALDH1A1RAB9ANPC1
SCHEMBL1457309 0.78 ACP1 (0.37) TOP2AKDM4EALDH1A1RAB9ANPC1
SCHEMBL6722290 0.78 TOP2A (0.52) TOP2AKDM4EALDH1A1RAB9AMAPK1
SCHEMBL20766797 0.75 GAA (0.47) TOP2AKDM4EALDH1A1RAB9AHTT

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
WO-2013067597-A1 IMMUNOMODULATORY CONJUGATES ASCEND BIOPHARMACEUTICALS PTY LTD (AU) 2013-05-16 WO disclosed