SCHEMBL21024834

SCHEMBL21024834

COc1cc(/C=C/C(=O)Nc2ccccc2C(N)=O)ccc1C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.70
KMT2A Q03164 7/20 0.70
NPC1 O15118 6/20 0.70
RAB9A P51151 6/20 0.70
SMN1; SMN2 Q16637 6/20 0.70
ALDH1A1 P00352 5/20 0.70
HPGD P15428 5/20 0.70
KDM4E B2RXH2 5/20 0.70
CYP3A4 P08684 3/20 0.70
NPSR1 Q6W5P4 3/20 0.70
TP53 P04637 2/20 0.70
HIF1A Q16665 2/20 0.70
CYP1A2 P05177 2/20 0.70
CYP2C19 P33261 2/20 0.70
PKM P14618 2/20 0.70
CYP2C9 P11712 1/20 0.70
HSD17B10 Q99714 1/20 0.70
ABCC4 O15439 1/20 0.70
HPGDS O60760 1/20 0.70
ABCB11 O95342 1/20 0.70

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
SCHEMBL2845944 0.92 MEN1 (0.82) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2845939 0.92 MEN1 (0.82) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2783103 0.90 MEN1 (0.83) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2783104 0.90 MEN1 (0.83) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8641214 0.89 KDM1A (0.77) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8641206 0.89 KDM1A (0.77) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL13352117 0.87 MMP1 (0.67) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL111095 0.87 SMN1; SMN2 (0.74) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8638547 0.86 ALDH1A1 (0.66) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8635335 0.86 ALDH1A1 (0.80) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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
EP-3485883-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION OccuRx Pty Ltd (AU) 2019-05-22 EP disclosed