SCHEMBL9425715

SCHEMBL9425715

CC(C)(C)NC(=S)Nc1cnccc1N

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ POLB P06746 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ HTT P42858 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ LMNA P02545 1/20 0.36
▸ MAPKAPK2 P49137 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35

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 SCHEMBL9425881 0.98 SMN1; SMN2 (0.42) SMN1; SMN2POLBHPGDHTTALDH1A1
SCHEMBL9425432 0.82 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1KMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL9426498 0.81 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1KMT2AMEN1MAPT
SCHEMBL9426526 0.80 ALOX12 (0.46) SMN1; SMN2POLBHTTALDH1A1KMT2A
SCHEMBL9426257 0.78 ALDH1A1 (0.49) SMN1; SMN2HPGDHTTALDH1A1KMT2A
SCHEMBL6988265 0.76 CYP1A2 (0.41) ALDH1A1KMT2AMEN1MAPTCYP1A2
SCHEMBL9426618 0.76 HTT (0.51) SMN1; SMN2HTTALDH1A1KMT2AMAPT
SCHEMBL18858121 0.75 GAA (0.39) ALDH1A1KMT2AMEN1MAPTGAA
SCHEMBL15432255 0.75 GAA (0.39) HTTALDH1A1KMT2AMEN1MAPT
SCHEMBL6988259 0.75 GAA (0.39) ALDH1A1KMT2AMEN1MAPTGAA

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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