SCHEMBL11510237

SCHEMBL11510237

Cc1cc(-c2ccccc2)c2nc(N)sc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.60
PIK3CA P42336 1/20 0.47
PI4KA P42356 1/20 0.47
PI4KB Q9UBF8 1/20 0.47
ALDH1A1 P00352 6/20 0.47
MAPT P10636 4/20 0.47
RAB9A P51151 1/20 0.47
NUDT1 P36639 1/20 0.47
LMNA P02545 3/20 0.44
PDE10A Q9Y233 1/20 0.44
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP3A4 P08684 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PDPK1 O15530 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL20043278 0.85 HSD17B10 (0.41) HSD17B10ALDH1A1MAPTRAB9ANUDT1
SCHEMBL4918805 0.83 PIK3CA (0.50) HSD17B10PIK3CAPI4KAPI4KBALDH1A1
SCHEMBL1806582 0.78 ALDH1A1 (0.56) HSD17B10PIK3CAPI4KAPI4KBALDH1A1
SCHEMBL2274638 0.76 HSD17B10 (0.50) HSD17B10ALDH1A1MAPTRAB9ALMNA
SCHEMBL1913640 0.75 HSD17B10 (1.00) HSD17B10ALDH1A1MAPTRAB9ALMNA
SCHEMBL21091214 0.75 HSD17B10 (0.72) HSD17B10ALDH1A1MAPTRAB9ALMNA
SCHEMBL23629009 0.75 ALDH1A1 (0.53) HSD17B10ALDH1A1MAPTRAB9ALMNA
SCHEMBL21089486 0.75 ALDH1A1 (0.47) HSD17B10PIK3CAPI4KAPI4KBALDH1A1
SCHEMBL4846424 0.74 ALDH1A1 (0.60) HSD17B10ALDH1A1MAPTRAB9ALMNA
SCHEMBL9474148 0.74 CYP3A4 (0.55) HSD17B10PIK3CAPI4KAPI4KBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4136033-A DIAZO COUPLERS SANDOZ LTD. (CH) 1979-01-23 US disclosed