SCHEMBL30152990

SCHEMBL30152990

COC(=O)c1ccc2nc(-c3cccc(-c4ccc(F)cc4-c4nncn4C)c3)[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ MMP8 P22894 1/20 0.43
▸ MMP13 P45452 1/20 0.43
▸ HDAC6 Q9UBN7 4/20 0.43
▸ BRD4 O60885 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ NR4A2 P43354 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HTT P42858 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL24821830 0.93 BRD4 (0.44) MMP2MMP9MMP8MMP13HDAC6
SCHEMBL30152881 0.83 NPC1 (0.46) KDM4EALDH1A1NPC1PKMHPGD
SCHEMBL24818670 0.83 NPC1 (0.46) KDM4EALDH1A1NPC1PKMHPGD
SCHEMBL24820013 0.82 MAPT (0.48) KDM4EALDH1A1LMNANPC1PKM
SCHEMBL24820343 0.82 RAB9A (0.46) HDAC6KDM4EALDH1A1NPC1HPGD
SCHEMBL24818715 0.80 MAPT (0.45) HDAC6KDM4EALDH1A1LMNANPC1
SCHEMBL24820653 0.80 HDAC6 (0.42) HDAC6KDM4ELMNANPC1PKM
SCHEMBL24820081 0.79 BRD4 (0.40) MMP2MMP9MMP8MMP13BRD4
SCHEMBL30152703 0.79 BRD4 (0.40) MMP2MMP9MMP8MMP13BRD4
SCHEMBL24818859 0.78 GUSB (0.36) KDM4ELMNANPC1RAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4359381-A1 CBL-B MODULATORS AND USES THEREOF Nimbus Clio, Inc. (US) 2024-05-01 — — EP disclosed
WO-2022272248-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-12-29 — — WO disclosed
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