SCHEMBL9426543

SCHEMBL9426543

S=C(Nc1cnccc1N1CCCC1)NC1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.54
▸ PIM1 P11309 2/20 0.49
▸ PIM3 Q86V86 2/20 0.49
▸ PIM2 Q9P1W9 1/20 0.49
▸ MAPT P10636 3/20 0.48
▸ GSK3B P49841 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ LMNA P02545 4/20 0.46
▸ GAA P10253 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ CDK4 P11802 1/20 0.46
▸ CDK9 P50750 1/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45

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
SCHEMBL9426466 0.82 ALDH1A1 (0.51) ALDH1A1MAPTSMN1; SMN2LMNAGAA
SCHEMBL9425866 0.79 ALDH1A1 (0.59) ALDH1A1MAPTSMN1; SMN2LMNAGAA
SCHEMBL9426354 0.79 ALDH1A1 (0.59) ALDH1A1MAPTSMN1; SMN2LMNAGAA
SCHEMBL9426037 0.78 ALDH1A1 (0.58) ALDH1A1MAPTSMN1; SMN2LMNAGAA
SCHEMBL9425868 0.78 ALDH1A1 (0.54) ALDH1A1MAPTSMN1; SMN2LMNAGAA
SCHEMBL9425921 0.75 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2LMNAGAAALOX12
SCHEMBL16666104 0.75 ALDH1A1 (0.58) ALDH1A1MAPTSMN1; SMN2LMNAGAA
SCHEMBL9426269 0.74 ALDH1A1 (0.63) ALDH1A1MAPTSMN1; SMN2LMNAGAA
SCHEMBL9426020 0.73 ALDH1A1 (0.52) ALDH1A1MAPTSMN1; SMN2LMNAGAA
Hydrochloric Acid SCHEMBL9426281 0.73 ALDH1A1 (0.62) ALDH1A1MAPTSMN1; SMN2LMNAGAA

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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