SCHEMBL29132079

SCHEMBL29132079

O=C(OCc1ccccc1)N1CCN(Cc2ccc(CN3CCNCC3)nn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.52
FNTB P49356 2/20 0.52
PGGT1B P53609 2/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SLC29A1 Q99808 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
CYP2C19 P33261 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
TNKS O95271 1/20 0.46
PARP1 P09874 1/20 0.46
TNKS2 Q9H2K2 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
PRMT5 O14744 1/20 0.45
OPRD1 P41143 1/20 0.44

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
SCHEMBL29132085 0.88 SIGMAR1 (0.59) FNTAFNTBPGGT1BMEN1KMT2A
SCHEMBL12018092 0.85 SIGMAR1 (0.62) FNTAFNTBPGGT1BMEN1KMT2A
SCHEMBL29132334 0.85 MEN1 (0.60) FNTAFNTBPGGT1BMEN1KMT2A
SCHEMBL29132142 0.84 FNTA (0.49) FNTAFNTBPGGT1BMEN1KMT2A
SCHEMBL3976200 0.84 MEN1 (0.59) FNTAFNTBPGGT1BMEN1KMT2A
SCHEMBL3970461 0.84 MEN1 (0.64) MEN1KMT2ANPSR1SLC29A1SMN1; SMN2
SCHEMBL4588381 0.84 MEN1 (0.64) MEN1KMT2ANPSR1SLC29A1SMN1; SMN2
SCHEMBL5747411 0.83 MEN1 (0.54) FNTAFNTBPGGT1BMEN1KMT2A
SCHEMBL22418871 0.83 SIGMAR1 (0.52) FNTAFNTBPGGT1BMEN1KMT2A
SCHEMBL31329561 0.82 MEN1 (0.62) MEN1KMT2ANPSR1SLC29A1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4308557-A1 INDAZOLE BASED COMPOUNDS AND ASSOCIATED METHODS OF USE Arvinas Operations, Inc. (US) 2024-01-24 EP disclosed
CN-117321046-A Indazole-based compounds and related methods of use 阿维纳斯企业公司 2023-12-29 CN disclosed
WO-2022198112-A1 INDAZOLE BASED COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2022-09-22 WO disclosed