SCHEMBL9951516

SCHEMBL9951516

Oc1ccc(Cl)c2[nH]nnc12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
BRD4 O60885 1/20 0.39
LMNA P02545 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MAPT P10636 1/20 0.39
METAP2 P50579 1/20 0.39
METAP1 P53582 1/20 0.39
CYP3A4 P08684 2/20 0.37
MAPK1 P28482 1/20 0.37
PIM1 P11309 1/20 0.33
IDO1 P14902 1/20 0.32
TSHR P16473 2/20 0.31
HSD17B10 Q99714 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NQO2 P16083 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
SCHEMBL5705232 0.76 CES1 (0.34)
SCHEMBL6729678 0.76 IDO1 (0.39) HSP90AA1CYP3A4IDO1HSD17B10
SCHEMBL10398373 0.76 OPRK1 (0.40)
SCHEMBL8627076 0.74 TSHR (0.40) HSP90AA1CYP3A4IDO1TSHRHSD17B10
SCHEMBL6052108 0.71 COMT (0.45) KDM4ELMNAHSD17B10ALDH1A1
SCHEMBL10627192 0.69 MAPT (0.46) KDM4EBRD4LMNAHSP90AA1MAPT
SCHEMBL9174801 0.69 COMT (0.44) KDM4ELMNAHSD17B10
SCHEMBL6275824 0.68
SCHEMBL9172490 0.68 MAPT (0.45) KDM4EBRD4LMNAHSP90AA1MAPT
Silver SCHEMBL9172484 0.68 MAPT (0.45) KDM4EBRD4LMNAHSP90AA1MAPT

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-2655527-A1 PROCESS FOR CURING SURFACE-COATING COMPOSITIONS ALLNEX AUSTRIA GmbH (AT) 2013-10-30 EP claimed
WO-2012085016-A1 PROCESS FOR CURING SURFACE-COATING COMPOSITIONS CYTEC AUSTRIA GMBH (AT) 2012-06-28 WO claimed