SCHEMBL19569794

SCHEMBL19569794

COC(=O)COCC(=O)Nc1ccccc(NC(C)=O)cccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ RAB9A P51151 4/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ NPC1 O15118 2/20 0.56
▸ NAPRT Q6XQN6 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ MAPT P10636 2/20 0.53
▸ HPGD P15428 1/20 0.53
▸ ALOX12 P18054 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ TSHR P16473 1/20 0.50
▸ AHR P35869 1/20 0.49
▸ POLB P06746 3/20 0.49
▸ TAAR1 Q96RJ0 1/20 0.49
▸ PKM P14618 1/20 0.48

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
SCHEMBL9125307 0.81 ALDH1A1 (0.65) KMT2AMEN1RAB9ASMN1; SMN2MAPT
SCHEMBL10341785 0.78 ALDH1A1 (0.57) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL19905402 0.76 ALDH1A1 (0.59) KMT2AMEN1MAPTHPGDALOX12
Acetanilide SCHEMBL21056245 0.75 NAPRT (0.86) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL11888597 0.75 NPC1 (0.76) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL3667956 0.75 KMT2A (0.69) KMT2AMEN1RAB9ASMN1; SMN2HSD17B10
SCHEMBL307601 0.74 MAPT (0.59) KMT2AMEN1RAB9ASMN1; SMN2NAPRT
SCHEMBL588524 0.74 HPGD (0.86) RAB9ASMN1; SMN2NPC1MAPTHPGD
SCHEMBL28361814 0.74 MEN1 (0.55) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL4696809 0.74 NAMPT (0.65) RAB9ASMN1; SMN2NPC1HSD17B10MAPT

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-2017193034-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES (US) 2017-11-09 — — WO disclosed
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