SCHEMBL22192209

SCHEMBL22192209

CCCNC(=O)COc1ccc(NC(=O)c2ccc(OCC(=O)NCCO)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.55
KMT2A Q03164 6/20 0.54
MEN1 O00255 4/20 0.54
NPC1 O15118 5/20 0.53
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53
CYP1A2 P05177 1/20 0.53
MAPT P10636 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.51
MCL1 Q07820 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
LMNA P02545 3/20 0.50
STAT3 P40763 1/20 0.50
POLB P06746 1/20 0.49

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
SCHEMBL22192265 0.94 KMT2A (0.59) RAB9AKMT2AMEN1NPC1ALDH1A1
SCHEMBL24285337 0.81 PLK1 (0.63) RAB9ANPC1ALDH1A1KDM4ECYP1A2
SCHEMBL22192247 0.80 KMT2A (0.56) RAB9AKMT2AMEN1NPC1ALDH1A1
SCHEMBL22192693 0.78 KMT2A (0.54) RAB9AKMT2AMEN1NPC1ALDH1A1
SCHEMBL17308837 0.76 KDM4E (0.58) RAB9AKMT2AMEN1NPC1ALDH1A1
SCHEMBL9326104 0.75 TSHR (0.57) RAB9AKMT2AMEN1NPC1ALDH1A1
SCHEMBL14221228 0.75 HDAC1 (0.70) KMT2AMEN1NPC1ALDH1A1CYP1A2
SCHEMBL22192246 0.75 SMN1; SMN2 (0.81) RAB9AKMT2AMEN1NPC1ALDH1A1
SCHEMBL22192220 0.75 ALDH1A1 (0.59) RAB9AKMT2AMEN1NPC1ALDH1A1
SCHEMBL10387988 0.74 ALDH1A1 (0.64) KMT2AMEN1ALDH1A1KDM4ECYP1A2

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-10703911-B2 Organic colorant, coloring composition, and inkjet ink RICOH COMPANY, LTD. (JP) 2020-07-07 US disclosed