SCHEMBL4564864

SCHEMBL4564864

CN(C(=O)c1ccccc1)c1ncc[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
GRM1 Q13255 2/20 0.42
PDE10A Q9Y233 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
HSD17B10 Q99714 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
HSD11B1 P28845 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
SCHEMBL9440949 0.79 ALDH1A1 (0.37) KDM4ESMN1; SMN2RAB9ANPC1LMNA
SCHEMBL391774 0.75 ALDH1A1 (0.37) KDM4EKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL14507079 0.75 KMT2A (0.58) KDM4EKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL17279782 0.73 NPC1 (0.44) KDM4EKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL6316045 0.71 TSHR (0.58) KDM4EKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL2662447 0.71 HSD11B1 (0.46) KDM4EKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL8612344 0.70 TAAR1 (0.53) SMN1; SMN2LMNATAAR1EGFRALDH1A1
SCHEMBL10612608 0.70 NPC1 (0.33) KDM4ESMN1; SMN2RAB9ANPC1TAAR1
SCHEMBL13860567 0.70 KDM4E (0.47) KDM4EKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL14856665 0.70 TAAR1 (0.53) KDM4EKMT2ASMN1; SMN2LMNATAAR1

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-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO disclosed