SCHEMBL9722768

SCHEMBL9722768

Nc1nc2ccc(CCO)cc2s1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.66
NPC1 O15118 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
MAPT P10636 1/20 0.57
GAA P10253 1/20 0.57
HTT P42858 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
AXL P30530 1/20 0.53
GFER P55789 1/20 0.53
PIK3CA P42336 5/20 0.50
PI4KA P42356 4/20 0.50
PI4KB Q9UBF8 4/20 0.50
PIK3CD O00329 3/20 0.50
PIK3CB P42338 3/20 0.50
PIK3CG P48736 3/20 0.50
CYP3A4 P08684 5/20 0.49
ALDH1A1 P00352 2/20 0.49
HSD17B10 Q99714 2/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL785395 0.86 RAB9A (0.70) RAB9ANPC1SMN1; SMN2MAPTGAA
SCHEMBL113955 0.83 RAB9A (0.76) RAB9ANPC1SMN1; SMN2MAPTGAA
Hydrochloric Acid SCHEMBL7331641 0.83 RAB9A (0.66) RAB9ANPC1SMN1; SMN2MAPTGAA
SCHEMBL13780339 0.82 RAB9A (0.81) RAB9ANPC1SMN1; SMN2MAPTGAA
SCHEMBL73742 0.81 RAB9A (0.59) RAB9ANPC1SMN1; SMN2MAPTGAA
SCHEMBL3113690 0.81 RAB9A (0.72) RAB9ANPC1SMN1; SMN2MAPTGAA
SCHEMBL9377503 0.81 RAB9A (0.78) RAB9ANPC1SMN1; SMN2MAPTGAA
SCHEMBL9762807 0.81 RAB9A (0.71) RAB9ANPC1SMN1; SMN2MAPTGAA
SCHEMBL20613119 0.80 HSD17B10 (0.57) RAB9ANPC1SMN1; SMN2MAPTGAA
SCHEMBL6046313 0.80 RAB9A (0.41) RAB9ANPC1SMN1; SMN2MAPTGAA

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
US-5120872-A Textile dyeing CIBA-GEIGY CORPORATION (US) 1992-06-09 US disclosed
US-4994563-A Dyeing, printing cellulose, silk, wool, synthetic polyamides; colorfastness CIBA-GEIGY CORPORATION (US) 1991-02-19 US disclosed
EP-0349486-A2 Azo dyes, their preparation and their use CIBA-GEIGY AG (CH) 1990-01-03 EP disclosed
US-4006127-A Cationic diazacyanine dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-02-01 US disclosed