SCHEMBL9426526

SCHEMBL9426526

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALOX12 P18054 1/20 0.46
▸ LMNA P02545 2/20 0.44
▸ POLB P06746 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ HTT P42858 4/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ ABCC9 O60706 1/20 0.34
▸ ABCC8 Q09428 1/20 0.34
▸ KCNJ11 Q14654 1/20 0.34
▸ KCNJ8 Q15842 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ AOC1 P19801 1/20 0.33
▸ AOC3 Q16853 1/20 0.33
▸ MAPT P10636 1/20 0.33

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
SCHEMBL9425715 0.80 SMN1; SMN2 (0.43) ALOX12LMNAPOLBGAAHTT
SCHEMBL9586194 0.80 LMNA (0.43) LMNAPOLBGAAHTTALDH1A1
Hydrochloric Acid SCHEMBL9425881 0.78 SMN1; SMN2 (0.42) ALOX12LMNAPOLBGAAHTT
SCHEMBL9425432 0.77 ALDH1A1 (0.45) LMNAGAAALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL9426498 0.76 ALDH1A1 (0.44) LMNAGAAALDH1A1KMT2AMEN1
SCHEMBL9456935 0.74 ABCC9 (0.57) HTTALDH1A1KMT2AABCC9ABCC8
SCHEMBL9426257 0.74 ALDH1A1 (0.49) LMNAGAAHTTALDH1A1KMT2A
SCHEMBL6988265 0.72 CYP1A2 (0.41) GAAALDH1A1KMT2AMEN1MAPT
SCHEMBL7873436 0.71 CIT (0.42) GAAALDH1A1KMT2AMEN1MAPT
SCHEMBL9426618 0.71 HTT (0.51) ALOX12LMNAGAAHTTALDH1A1

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 2 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
EP-0503627-A1 Aminopyridine compounds THE GREEN CROSS CORPORATION (JP) 1992-09-16 — — EP disclosed
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