SCHEMBL31622377

SCHEMBL31622377

O=C(Nc1nc2c(s1)CCC2)c1cc(Cl)nnc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 10/20 0.56
▸ NPC1 O15118 10/20 0.56
▸ RAB9A P51151 10/20 0.56
▸ SMN1; SMN2 Q16637 9/20 0.56
▸ ALDH1A1 P00352 7/20 0.56
▸ PKM P14618 4/20 0.56
▸ HSD17B10 Q99714 3/20 0.56
▸ MAPT P10636 10/20 0.54
▸ TMIGD3 P0DMS9 1/20 0.52
▸ ADORA1 P30542 1/20 0.52
▸ NFKB1 P19838 5/20 0.50
▸ NFKB2 Q00653 5/20 0.50
▸ RELA Q04206 5/20 0.50
▸ LMNA P02545 4/20 0.50
▸ TSHR P16473 2/20 0.50
▸ THRB P10828 1/20 0.49
▸ MEN1 O00255 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ HPGD P15428 2/20 0.49
▸ CASP3 P42574 1/20 0.49

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
SCHEMBL15914524 0.75 TP53 (0.59) TP53NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3384688 0.71 MAPT (0.70) TP53NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL31622384 0.71 ALDH1A1 (0.62) TP53NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13278295 0.71 TSHR (0.64) TP53NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13035816 0.70 TSHR (0.67) TP53NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3109465 0.69 NPC1 (0.77) TP53NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL15401671 0.68 MAPT (0.64) TP53NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2374088 0.68 ALDH1A1 (0.61) NPC1RAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL17916714 0.68 ALDH1A1 (0.75) TP53NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL14807083 0.67 RAB9A (0.75) TP53NPC1RAB9ASMN1; SMN2ALDH1A1

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-3887362-B1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS BAYER AG (DE) 2025-06-18 — — EP disclosed
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