SCHEMBL30806396

SCHEMBL30806396

Nc1ccc2c(c1)ncc(=O)n2Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.52
▸ MEN1 O00255 4/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ TSHR P16473 2/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ HBB P68871 1/20 0.52
▸ HTT P42858 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ HPGD P15428 3/20 0.46
▸ BRD4 O60885 2/20 0.44
▸ FGFR1 P11362 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ KDM4A O75164 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43

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
SCHEMBL30806608 0.89 CYP1A2 (0.46) ALDH1A1MEN1KMT2ATSHRCYP3A4
SCHEMBL15712417 0.83 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ATSHRCYP3A4
SCHEMBL30553897 0.83 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ATSHRCYP3A4
SCHEMBL28036807 0.83 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ATSHRCYP3A4
SCHEMBL29414257 0.82 MEN1 (0.72) ALDH1A1MEN1KMT2ATSHRCYP3A4
SCHEMBL16210700 0.82 MEN1 (0.72) ALDH1A1MEN1KMT2ATSHRCYP3A4
SCHEMBL30806921 0.81 TNIK (0.45) ALDH1A1MEN1KMT2ATSHRCYP3A4
SCHEMBL30807014 0.79 PKM (0.55) ALDH1A1MEN1KMT2ATSHRCYP3A4
SCHEMBL30553896 0.79 MEN1 (0.54) ALDH1A1MEN1KMT2ATSHRCYP3A4
SCHEMBL28034342 0.79 MEN1 (0.54) ALDH1A1MEN1KMT2ATSHRCYP3A4

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-4561561-A2 SUBSTITUTED 3,4-DIHYDROQUINOLINONE INHIBITORS OF TSHR Septerna, Inc. (US) 2025-06-04 — — EP disclosed
WO-2024026076-A2 SUBSTITUTED 3,4-DIHYDROQUINOLINONE INHIBITORS OF TSHR SEPTERNA, INC. (US) 2024-02-01 — — WO disclosed
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