SCHEMBL29936934

SCHEMBL29936934

O=C(Nc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1)C1CC(=O)N(Cc2cccnc2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RXFP3 Q9NSD7 18/20 1.00
▸ TMEM97 Q5BJF2 1/20 0.72
▸ ALDH1A1 P00352 2/20 0.52
▸ NPC1 O15118 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ GLA P06280 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL27001833 1.00 RXFP3 (1.00) RXFP3TMEM97ALDH1A1NPC1LMNA
SCHEMBL27001810 0.94 RXFP3 (0.91) RXFP3TMEM97ALDH1A1NPC1LMNA
SCHEMBL29936647 0.94 RXFP3 (1.00) RXFP3TMEM97ALDH1A1NPC1LMNA
SCHEMBL27001795 0.94 RXFP3 (1.00) RXFP3TMEM97ALDH1A1NPC1LMNA
SCHEMBL29937054 0.94 RXFP3 (0.91) RXFP3TMEM97ALDH1A1NPC1LMNA
SCHEMBL27001826 0.93 RXFP3 (1.00) RXFP3TMEM97ALDH1A1NPC1LMNA
SCHEMBL29936644 0.93 RXFP3 (1.00) RXFP3TMEM97ALDH1A1NPC1LMNA
SCHEMBL27001823 0.93 RXFP3 (0.92) RXFP3TMEM97ALDH1A1NPC1LMNA
SCHEMBL29937004 0.93 RXFP3 (0.92) RXFP3TMEM97ALDH1A1NPC1LMNA
SCHEMBL29936606 0.92 RXFP3 (0.88) RXFP3TMEM97ALDH1A1NPC1LMNA

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-4304630-A1 SMALL MOLECULE ANTAGONISTS FOR THE RELAXIN-3/RXFP3 SYSTEM Research Triangle Institute (US) 2024-01-17 — — EP disclosed
CN-116963761-A Small molecule antagonists against relaxin-3/RXFP 3 system 研究三角协会 2023-10-27 — — CN disclosed
WO-2022192126-A1 SMALL MOLECULE ANTAGONISTS FOR THE RELAXIN-3/RXFP3 SYSTEM RESEARCH TRIANGLE INSTITUTE (US) 2022-09-15 — — WO disclosed
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