SCHEMBL30069263

SCHEMBL30069263

COc1ccccc1NC(=O)/C=C/c1ccc2c(c1)OC(F)(F)O2

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.70
SMN1; SMN2 Q16637 4/20 0.70
MAPT P10636 3/20 0.70
MMP1 P03956 4/20 0.64
MMP2 P08253 4/20 0.64
MMP9 P14780 4/20 0.64
EGFR P00533 1/20 0.61
TRPV1 Q8NER1 2/20 0.57
KDM1A O60341 2/20 0.55
PKM P14618 2/20 0.53
POLB P06746 1/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
NPC1 O15118 3/20 0.53
ALDH1A1 P00352 6/20 0.53
CYP3A4 P08684 3/20 0.53
KDM4E B2RXH2 3/20 0.53
TP53 P04637 2/20 0.53
HPGD P15428 2/20 0.53
HIF1A Q16665 2/20 0.53

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
SCHEMBL296725 0.80 SMN1; SMN2 (0.77) RAB9ASMN1; SMN2MAPTMMP1MMP2
SCHEMBL29644891 0.79 RAB9A (0.62) RAB9ASMN1; SMN2MAPTMMP1MMP2
SCHEMBL30970349 0.77 KDM4E (0.62) SMN1; SMN2MAPTALDH1A1KDM4EGAA
SCHEMBL7663681 0.77 MMP1 (0.72) RAB9ASMN1; SMN2MAPTMMP1MMP2
SCHEMBL31068007 0.76 KMT2A (0.55) RAB9ASMN1; SMN2MAPTMMP1MMP2
SCHEMBL27770381 0.75 MMP1 (0.80) RAB9ASMN1; SMN2MAPTMMP1MMP2
SCHEMBL13675885 0.73 TRPV1 (1.00) RAB9ASMN1; SMN2MAPTMMP1MMP2
SCHEMBL31068025 0.73 GPR183 (0.42) RAB9ASMN1; SMN2MAPTMMP1MMP2
SCHEMBL31068020 0.72 SMN1; SMN2 (0.71) RAB9ASMN1; SMN2MAPTMMP1MMP2
SCHEMBL4787813 0.72 MAPT (0.61) RAB9ASMN1; SMN2MAPTPOLBMEN1

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-4351553-A1 NOVEL ANTI-FIBROTIC DRUGS Helmholtz Zentrum München Deutsches Forschungszentrum für Gesundheit und Umwelt GmbH (DE) 2024-04-17 EP disclosed
WO-2022258792-A1 NOVEL ANTI-FIBROTIC DRUGS Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) 2022-12-15 WO disclosed