SCHEMBL31403195

SCHEMBL31403195

C[C@H]1CN(c2ccc3cc(C#N)c4nc5ccccc5n4c3n2)C[C@H](C)N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ KDM4E B2RXH2 7/20 0.39
▸ ALDH1A1 P00352 7/20 0.39
▸ GAA P10253 4/20 0.39
▸ HPGD P15428 3/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ MAPT P10636 2/20 0.39
▸ GLA P06280 3/20 0.39
▸ POLB P06746 4/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ XBP1 P17861 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HIF1A Q16665 2/20 0.36
▸ KLK7 P49862 1/20 0.36
▸ HK1 P19367 1/20 0.36
▸ HKDC1 Q2TB90 1/20 0.36
▸ ALOX12 P18054 1/20 0.35

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
SCHEMBL17255024 1.00 TSHR (0.40) TSHRHSD17B10KDM4EALDH1A1GAA
SCHEMBL19636210 0.86 MAPT (0.38) TSHRHSD17B10KDM4EALDH1A1GAA
SCHEMBL18213590 0.86 HCRTR1 (0.39) TSHRHSD17B10KDM4EALDH1A1GAA
SCHEMBL18057377 0.84 TSHR (0.39) TSHRHSD17B10KDM4EALDH1A1GAA
SCHEMBL18042578 0.82 KDM4E (0.49) TSHRHSD17B10KDM4EALDH1A1GAA
SCHEMBL19636342 0.81 KDM4E (0.43) TSHRHSD17B10KDM4EALDH1A1GAA
SCHEMBL18057398 0.80 PDE10A (0.37) TSHRHSD17B10KDM4EALDH1A1GAA
SCHEMBL18213611 0.80 KDM4E (0.41) TSHRHSD17B10KDM4EALDH1A1GAA
SCHEMBL17255025 0.80 PDE10A (0.43) TSHRHSD17B10KDM4EALDH1A1GAA
SCHEMBL17255029 0.79 HRH3 (0.52) TSHRHSD17B10KDM4EALDH1A1GAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3219716-B1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM PIMERA INC (US) 2024-12-25 — — EP disclosed
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