SCHEMBL9425868

SCHEMBL9425868

CC(C)(C)Nc1ccncc1NC(=S)NC1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.54
▸ LMNA P02545 4/20 0.53
▸ GAA P10253 2/20 0.49
▸ ALOX12 P18054 1/20 0.49
▸ HTT P42858 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MAPT P10636 1/20 0.46

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
SCHEMBL9426037 0.86 ALDH1A1 (0.58) ALDH1A1LMNAGAAALOX12HTT
SCHEMBL9425866 0.84 ALDH1A1 (0.59) ALDH1A1LMNAGAAALOX12HTT
SCHEMBL9425921 0.82 ALDH1A1 (0.54) ALDH1A1LMNAGAAALOX12HTT
SCHEMBL9426354 0.79 ALDH1A1 (0.59) ALDH1A1LMNAGAAALOX12HTT
SCHEMBL9426269 0.79 ALDH1A1 (0.63) ALDH1A1LMNAGAAALOX12HTT
Hydrochloric Acid SCHEMBL9426281 0.78 ALDH1A1 (0.62) ALDH1A1LMNAGAAALOX12HTT
SCHEMBL16666104 0.78 ALDH1A1 (0.58) ALDH1A1LMNAGAAALOX12HTT
SCHEMBL9426543 0.78 ALDH1A1 (0.54) ALDH1A1LMNAGAAALOX12HTT
SCHEMBL9426788 0.76 NPC1 (0.60) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL9426020 0.76 ALDH1A1 (0.52) ALDH1A1LMNAGAAALOX12HTT

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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