SCHEMBL24372361

SCHEMBL24372361

O=C(O)CC1(CC(=O)O)c2ccccc2-c2nc3ccccc3cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.48
▸ RAB9A P51151 3/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ APEX1 P27695 1/20 0.42
▸ KDM4E B2RXH2 6/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ TP53 P04637 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ PTPRA P18433 1/20 0.39
▸ GLA P06280 1/20 0.38
▸ PKM P14618 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ MAPK1 P28482 1/20 0.37

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
SCHEMBL24350392 0.95 KMT2A (0.46) KMT2ARAB9ANPC1APEX1KDM4E
SCHEMBL24349285 0.86 APEX1 (0.61) KMT2ARAB9ANPC1APEX1KDM4E
SCHEMBL24349284 0.85 KMT2A (0.43) KMT2ARAB9ANPC1APEX1KDM4E
SCHEMBL29434660 0.84 APEX1 (0.55) KMT2ARAB9ANPC1APEX1KDM4E
SCHEMBL24372358 0.84 KMT2A (0.47) KMT2ARAB9ANPC1KDM4EALDH1A1
SCHEMBL24350394 0.84 APEX1 (0.55) KMT2ARAB9ANPC1APEX1KDM4E
SCHEMBL24981932 0.84 KMT2A (0.46) KMT2ARAB9ANPC1APEX1KDM4E
SCHEMBL24349343 0.84 NPC1 (0.42) KMT2ARAB9ANPC1KDM4EALDH1A1
SCHEMBL29320886 0.84 KMT2A (0.46) KMT2ARAB9ANPC1APEX1KDM4E
SCHEMBL24981931 0.83 KMT2A (0.45) KMT2ARAB9ANPC1APEX1KDM4E

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-3988599-B1 THERMOPLASTIC RESIN, OPTICAL FILM MADE THEREFROM, DIOL COMPOUND, DIESTER COMPOUND MITSUBISHI CHEM CORP (JP) 2023-10-18 — — EP disclosed
EP-3988599-A1 THERMOPLASTIC RESIN, OPTICAL FILM MADE THEREFROM, DIOL COMPOUND, DIESTER COMPOUND Mitsubishi Chemical Corporation (JP) 2022-04-27 — — EP disclosed
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