SCHEMBL9426269

SCHEMBL9426269

S=C(Nc1cnccc1Nc1ccccc1)NC1CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.63
▸ LMNA P02545 6/20 0.62
▸ SMN1; SMN2 Q16637 5/20 0.62
▸ MAPT P10636 4/20 0.62
▸ MEN1 O00255 2/20 0.62
▸ KMT2A Q03164 2/20 0.62
▸ GAA P10253 2/20 0.62
▸ MAPK1 P28482 1/20 0.62
▸ TDP1 Q9NUW8 1/20 0.62
▸ HTT P42858 3/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ ALOX12 P18054 3/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ PKM P14618 1/20 0.48

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
Hydrochloric Acid SCHEMBL9426281 0.99 ALDH1A1 (0.62) ALDH1A1LMNASMN1; SMN2MAPTMEN1
SCHEMBL9425866 0.83 ALDH1A1 (0.59) ALDH1A1LMNASMN1; SMN2MAPTMEN1
SCHEMBL9426788 0.82 NPC1 (0.60) ALDH1A1LMNASMN1; SMN2MAPTMEN1
SCHEMBL9426037 0.82 ALDH1A1 (0.58) ALDH1A1LMNASMN1; SMN2MAPTGAA
SCHEMBL9425868 0.79 ALDH1A1 (0.54) ALDH1A1LMNASMN1; SMN2MAPTGAA
SCHEMBL9425921 0.79 ALDH1A1 (0.54) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL9426354 0.78 ALDH1A1 (0.59) ALDH1A1LMNASMN1; SMN2MAPTMEN1
SCHEMBL5455050 0.77 SMN1; SMN2 (0.88) ALDH1A1LMNASMN1; SMN2MAPTMEN1
SCHEMBL16666104 0.77 ALDH1A1 (0.58) ALDH1A1LMNASMN1; SMN2MAPTMEN1
SCHEMBL5447885 0.75 SMN1; SMN2 (0.84) ALDH1A1LMNASMN1; SMN2MAPTMEN1

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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