SCHEMBL30742663

SCHEMBL30742663

COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](C)OC(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.47
▸ PELP1 Q8IZL8 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ VCAM1 P19320 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ PKM P14618 2/20 0.44
▸ HTT P42858 2/20 0.43
▸ LMNA P02545 3/20 0.43
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 4/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ PTGER4 P35408 1/20 0.42
▸ AKR1C4 P17516 1/20 0.42
▸ AKR1C3 P42330 1/20 0.42
▸ AKR1C2 P52895 1/20 0.42
▸ AKR1C1 Q04828 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ CRHBP P24387 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41
▸ CYP1A2 P05177 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
SCHEMBL27478687 1.00 AR (0.47) ARPELP1KMT2AVCAM1ALDH1A1
SCHEMBL31509294 1.00 AR (0.47) ARPELP1KMT2AVCAM1ALDH1A1
SCHEMBL30550394 0.89 KMT2A (0.50) ARPELP1KMT2AVCAM1ALDH1A1
SCHEMBL26545880 0.89 KMT2A (0.50) ARPELP1KMT2AVCAM1ALDH1A1
SCHEMBL1528372 0.87 AR (0.55) ARPELP1KMT2AVCAM1ALDH1A1
SCHEMBL31143248 0.83 KMT2A (0.52) ARPELP1KMT2AVCAM1ALDH1A1
SCHEMBL17263068 0.83 ALDH1A1 (0.52) ARPELP1KMT2AVCAM1ALDH1A1
SCHEMBL2019450 0.80 HCAR3 (0.58) ARPELP1KMT2AVCAM1ALDH1A1
SCHEMBL25373263 0.80 HCAR3 (0.54) KMT2ALMNAMAPT
SCHEMBL25373265 0.80 HCAR3 (0.54) KMT2ALMNAMAPT

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-4562006-A1 N-HETEROCYLIC GPCR RECEPTOR AGONISTS, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME, AND METHODS FOR THEIR USE Carmot Therapeutics, Inc. (US) 2025-06-04 — — EP disclosed
WO-2024026338-A1 N-HETEROCYLIC GPCR RECEPTOR AGONISTS, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME, AND METHODS FOR THEIR USE CARMOT THERAPEUTICS, INC. (US) 2024-02-01 — — WO disclosed
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