SCHEMBL11510029

SCHEMBL11510029

CCCCCCCCSc1nnc(C)n1Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.52
▸ KMT2A Q03164 4/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ POLB P06746 1/20 0.47
▸ MAPK1 P28482 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ CYP19A1 P11511 3/20 0.45
▸ PTGDR2 Q9Y5Y4 1/20 0.44

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
SCHEMBL11511765 0.85 NPC1 (0.53) ALDH1A1KMT2AMEN1NPSR1CYP19A1
SCHEMBL11511071 0.83 KDM4E (0.57) ALDH1A1KMT2AMEN1KDM4ENPSR1
SCHEMBL11512754 0.82 KDM4E (0.56) ALDH1A1KMT2AMEN1KDM4ENPSR1
SCHEMBL6403164 0.80 LMNA (0.65) ALDH1A1KMT2AMEN1KDM4ENPSR1
SCHEMBL10432414 0.76 OPRK1 (0.64) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL4735710 0.75 ALDH1A1 (0.71) ALDH1A1KMT2AMEN1KDM4ENPSR1
SCHEMBL9504656 0.74 KDM4E (0.60) ALDH1A1KMT2AMEN1KDM4ENPSR1
SCHEMBL11512132 0.72 DRD2 (0.78) ALDH1A1KMT2AMEN1NPSR1LMNA
SCHEMBL4204712 0.72 MEN1 (0.72) ALDH1A1KMT2AMEN1KDM4ENPSR1
SCHEMBL6406874 0.71 LMNA (0.65) ALDH1A1KMT2AMEN1KDM4ENPSR1

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
US-4178253-A 1,2,4-TRIAZOLE COMPOUNDS CIBA-GEIGY CORPORATION (US) 1979-12-11 — — US disclosed
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