SCHEMBL22137307

SCHEMBL22137307

COC(=O)c1[nH]c(C)c(C(C)=O)c1CCC=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.52
HPGD P15428 1/20 0.52
NPSR1 Q6W5P4 2/20 0.50
BRD4 O60885 2/20 0.46
BRPF1 P55201 2/20 0.46
CREBBP Q92793 2/20 0.46
EP300 Q09472 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.41
MAPT P10636 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL22137275 0.87 ALDH1A1 (0.54) MAPK1HPGDBRD4BRPF1CREBBP
SCHEMBL22137276 0.79 BRD4 (0.42) MAPK1NPSR1BRD4BRPF1CREBBP
SCHEMBL8203697 0.74 HPGD (0.59) MAPK1HPGDNPSR1SMN1; SMN2MAPT
SCHEMBL7482811 0.71 NPSR1 (0.62) MAPK1HPGDNPSR1BRD4BRPF1
SCHEMBL22137286 0.71 ALDH1A1 (0.55) MAPK1HPGDNPSR1BRD4BRPF1
SCHEMBL8204552 0.69 BRD4 (0.62) MAPK1HPGDBRD4BRPF1CREBBP
SCHEMBL29953002 0.67 BRD4 (0.51) MAPK1HPGDNPSR1BRD4BRPF1
SCHEMBL24263944 0.67 LMNA (0.47) MAPK1HPGDNPSR1SMN1; SMN2CYP1A2
SCHEMBL7256405 0.67 NPSR1 (0.79) MAPK1HPGDNPSR1SMN1; SMN2MAPT
SCHEMBL13919303 0.66 IGF1R (0.61) MAPK1NPSR1BRD4BRPF1CREBBP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898587-B1 CONDENSED PYRROLES AS NOVEL BROMODOMAIN INHIBITORS UNIV FREIBURG ALBERT LUDWIGS (DE) 2024-06-26 EP disclosed
WO-2020127846-A9 CONDENSED PYRROLES AS NOVEL BROMODOMAIN INHIBITORS ALBERT LUDWIG UNIVERSITÄT FREIBURG (DE) 2021-08-12 WO disclosed
WO-2020127846-A1 CONDENSED PYRROLES AS NOVEL BROMODOMAIN INHIBITORS ALBERT LUDWIG UNIVERSITÄT FREIBURG (DE) 2020-06-25 WO disclosed