SCHEMBL7643118

SCHEMBL7643118

COCCC(=O)Nc1c(Cl)nc2ccccc2c1NCC(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 1/20 0.40
KDM4E B2RXH2 5/20 0.39
GAA P10253 4/20 0.39
GLA P06280 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TOP2A P11388 4/20 0.39
MAPK8 P45983 1/20 0.39
MAPK10 P53779 1/20 0.39
P2RX7 Q99572 1/20 0.39
POLB P06746 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
ACP1 P24666 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL6722290 0.84 TOP2A (0.52) MEN1KMT2AKDM4EGAAGLA
SCHEMBL6730707 0.84 ACSS2 (0.39) MEN1KMT2ASMN1; SMN2KDM4EGAA
SCHEMBL2743823 0.79 GAA (0.36) MEN1KMT2ASMN1; SMN2KDM4EGAA
SCHEMBL24879683 0.76 KDM4E (0.44) SMN1; SMN2KDM4EGAAGLAALDH1A1
SCHEMBL24808465 0.73 KDM4E (0.49) MEN1KMT2ASMN1; SMN2KDM4EGAA
SCHEMBL2743720 0.72 GAA (0.35) MEN1KMT2ASMN1; SMN2KDM4EGAA
SCHEMBL843109 0.71 KDM4E (0.49) MEN1KMT2ASMN1; SMN2TP53KDM4E
SCHEMBL31197385 0.71 KDM4E (0.49) MEN1KMT2ASMN1; SMN2TP53KDM4E
SCHEMBL20766797 0.71 GAA (0.47) KMT2ASMN1; SMN2KDM4EGAAGLA
SCHEMBL14950200 0.70 TOP2A (0.48) SMN1; SMN2KDM4EGAAGLAALDH1A1

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-6465654-B2 ANTIVIRAL AGENTS, THAT INDUCE BIOSYNTHESIS OF INTERFERON, AND INHIBIT TUMOR FORMATION 3M INNOVATIVE PROPERTIES COMPANY 2002-10-15 US claimed