SCHEMBL7678336

SCHEMBL7678336

CCN(CC)CCN.CCOC(=O)c1[nH]cc2c1CCCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.42
MAPT P10636 4/20 0.42
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
BRD4 O60885 1/20 0.38
ALOX15 P16050 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 2/20 0.34
RAB9A P51151 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 2/20 0.34
TSHR P16473 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTR6 P50406 1/20 0.33

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
SCHEMBL469817 0.86 KDM4E (0.51) KDM4EMAPTCYP1A2BRD4ALOX15
SCHEMBL22534128 0.85 KDM4E (0.50) KDM4EMAPTCYP1A2BRD4ALOX15
SCHEMBL13977549 0.84 BRD4 (0.50) KDM4EMAPTCYP1A2BRD4ALOX15
SCHEMBL31672530 0.73 KDM4E (0.50) KDM4EMAPTALDH1A1HPGDMAPK1
SCHEMBL16595631 0.73 KDM4E (0.43) KDM4EMAPTBRD4ALOX15HSD17B10
SCHEMBL29282052 0.67 KDM4E (0.44) KDM4EMAPTCYP1A2BRD4ALOX15
SCHEMBL19318769 0.66 ALOX15 (0.45) KDM4EMAPTCYP1A2BRD4ALOX15
SCHEMBL24608876 0.66 KDM4E (0.34) KDM4EMAPTALOX15RAB9AMEN1
SCHEMBL30360042 0.66 MAPT (0.36) KDM4EMAPTBRD4ALOX15HSD17B10
SCHEMBL15221347 0.65 GRM1 (0.40) KDM4EMAPTCYP1A2BRD4ALOX15

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-1255752-A2 PYRROLE SUBSTITUTED 2-INDOLINONE PROTEIN KINASE INHIBITORS Sugen, Inc. (US) 2002-11-13 EP disclosed
WO-2001060814-A2 PYRROLE SUBSTITUTED 2-INDOLINONE PROTEIN KINASE INHIBITORS SUGEN, INC. (US) 2001-08-23 WO disclosed