SCHEMBL9426788

SCHEMBL9426788

O=C(Nc1ccncc1NC(=S)NC1CCCCC1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.60
▸ RAB9A P51151 3/20 0.60
▸ ALDH1A1 P00352 5/20 0.59
▸ KDM4E B2RXH2 2/20 0.51
▸ HTT P42858 2/20 0.50
▸ KDM4D Q6B0I6 1/20 0.50
▸ KDM4C Q9H3R0 1/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ MAPT P10636 1/20 0.48
▸ LMNA P02545 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47

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
SCHEMBL9425921 0.83 ALDH1A1 (0.54) NPC1ALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL9426269 0.82 ALDH1A1 (0.63) RAB9AALDH1A1KDM4EHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL9426281 0.81 ALDH1A1 (0.62) RAB9AALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL9425866 0.80 ALDH1A1 (0.59) NPC1RAB9AALDH1A1KDM4EHTT
SCHEMBL9426037 0.79 ALDH1A1 (0.58) ALDH1A1HTTSMN1; SMN2MAPTLMNA
SCHEMBL16666104 0.76 ALDH1A1 (0.58) NPC1RAB9AALDH1A1KDM4EHTT
SCHEMBL9425868 0.76 ALDH1A1 (0.54) ALDH1A1HTTSMN1; SMN2MAPTLMNA
SCHEMBL16108484 0.76 RAB9A (1.00) NPC1RAB9AALDH1A1KDM4EHTT
SCHEMBL1604644 0.76 RAB9A (1.00) NPC1RAB9AALDH1A1KDM4EHTT
SCHEMBL9426354 0.75 ALDH1A1 (0.59) NPC1RAB9AALDH1A1KDM4EHTT

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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