SCHEMBL9194272

SCHEMBL9194272

CCI.Cc1ccc2sc(C)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.56
▸ SMN1; SMN2 Q16637 5/20 0.52
▸ RAB9A P51151 4/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ MAPT P10636 4/20 0.52
▸ NPC1 O15118 3/20 0.52
▸ TP53 P04637 3/20 0.52
▸ PKM P14618 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ GAA P10253 1/20 0.48
▸ LMNA P02545 2/20 0.48
▸ HTT P42858 1/20 0.48
▸ KMT2A Q03164 1/20 0.46
▸ DYRK1A Q13627 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ PDE10A Q9Y233 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.40

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
Propane SCHEMBL28083730 0.93 HSD17B10 (0.59) HSD17B10SMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL92781 0.91 SMN1; SMN2 (0.61) HSD17B10SMN1; SMN2RAB9AALDH1A1MAPT
Bromide SCHEMBL10996884 0.89 SMN1; SMN2 (0.59) HSD17B10SMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL2170235 0.81 SMN1; SMN2 (0.54) HSD17B10SMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL9192703 0.78 FBP1 (0.49) HSD17B10SMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL31359187 0.76 HSD17B10 (0.72) HSD17B10SMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL10151628 0.76 RAB9A (0.66) HSD17B10SMN1; SMN2RAB9AMAPTNPC1
SCHEMBL464409 0.76 HSD17B10 (0.72) HSD17B10SMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL12810173 0.76 SMN1; SMN2 (0.53) HSD17B10SMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL1133153 0.76 SMN1; SMN2 (0.57) HSD17B10SMN1; SMN2RAB9AALDH1A1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0383092-B1 Chromogenic merocyanine enzyme substrates BAYER AG (US) 1995-12-13 — — EP disclosed
US-5191073-A Indicators for colorimetric analysis of enzymes MILES INC. (US) 1993-03-02 — — US disclosed
US-5122602-A Optical indicators; medical diagnosis; quantitative analysis; immunoassay MILES INC. (US) 1992-06-16 — — US disclosed
EP-0383092-A2 Chromogenic merocyanine enzyme substrates Bayer Corporation (US) 1990-08-22 — — EP disclosed
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