SCHEMBL23188353

SCHEMBL23188353

Cc1c(-c2ccc(C(=O)NCCN3CCOCC3)cc2)c(=O)oc2c(C(=O)O)c(O)ccc12

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 4/20 0.58
▸ CD274 Q9NZQ7 9/20 0.55
▸ HPGD P15428 1/20 0.55
▸ TP53 P04637 1/20 0.51
▸ POLB P06746 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ HTR1A P08908 1/20 0.49
▸ MAOA P21397 1/20 0.49
▸ MAOB P27338 1/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ ERN1 O75460 1/20 0.48

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
SCHEMBL19068940 0.93 HPGDS (0.58) HPGDSCD274HPGDTP53POLB
SCHEMBL14916353 0.88 HPGDS (0.56) HPGDSCD274HPGDTP53POLB
SCHEMBL16724770 0.86 HPGDS (0.54) HPGDSCD274HPGDTP53POLB
SCHEMBL14916579 0.83 HPGDS (0.54) HPGDSCD274HPGDPOLBALDH1A1
SCHEMBL30406116 0.83 HPGDS (0.54) HPGDSCD274HPGDPOLBALDH1A1
SCHEMBL2551435 0.78 TNKS2 (0.50) HPGDSCD274HPGDPOLBALDH1A1
SCHEMBL14930164 0.78 ERN1 (0.49) HPGDSCD274HPGDPOLBALDH1A1
SCHEMBL14924895 0.78 ERN1 (0.63) HPGDSCD274HPGDPOLBMEN1
SCHEMBL14930118 0.77 HPGDS (0.55) HPGDSCD274HPGDPOLBALDH1A1
SCHEMBL14930117 0.76 CD274 (0.53) HPGDSCD274HPGDPOLBALDH1A1

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-3799870-A1 IRE-1A INHIBITORS Fosun Orinove Pharmatech, Inc. (CN) 2021-04-07 — — EP disclosed
US-9517977-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2016-12-13 — — US disclosed
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