SCHEMBL9426325

SCHEMBL9426325

Nc1ncccc1NC(=S)NC1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.60
▸ ALDH1A1 P00352 7/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ LMNA P02545 4/20 0.57
▸ ALOX12 P18054 2/20 0.57
▸ GAA P10253 1/20 0.57
▸ HTT P42858 1/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL11276935 0.81 SHMT2 (0.44) MAPTALDH1A1SMN1; SMN2
SCHEMBL19851113 0.77 KDM4E (0.64) MAPTALDH1A1GAAKDM4EMEN1
SCHEMBL23954467 0.77 KDM4E (0.64) MAPTALDH1A1GAAKDM4EMEN1
SCHEMBL13054216 0.77 KDM4E (0.64) MAPTALDH1A1GAAKDM4EMEN1
SCHEMBL19851119 0.77 KDM4E (0.64) MAPTALDH1A1GAAKDM4EMEN1
SCHEMBL11471587 0.76 ALDH1A1 (0.55) MAPTALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL9426354 0.75 ALDH1A1 (0.59) MAPTALDH1A1SMN1; SMN2LMNAALOX12
SCHEMBL29450605 0.74 ALDH1A1 (0.64) MAPTALDH1A1SMN1; SMN2LMNAALOX12
SCHEMBL16982846 0.72 MAPT (0.56) MAPTALDH1A1SMN1; SMN2LMNAALOX12
SCHEMBL9425942 0.70 ALDH1A1 (0.60) MAPTALDH1A1SMN1; SMN2LMNAALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5371086-A Circulatory disorders side effect reduction THE GREEN CROSS CORPORATION (JP) 1994-12-06 — — US disclosed
US-5262415-A FOR TREATING DISEASES OF THE CIRCULATORY SYSTEM THE GREEN CROSS CORPORATION (JP) 1993-11-16 — — US disclosed
EP-0503627-A1 Aminopyridine compounds THE GREEN CROSS CORPORATION (JP) 1992-09-16 — — EP disclosed
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