SCHEMBL9870574

SCHEMBL9870574

CCc1c(C)nc(SCc2ccccc2N(C)C)[nH]c1=O

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.61
HTT P42858 4/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 5/20 0.47
TSHR P16473 2/20 0.47
HPGD P15428 7/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL9838119 0.77 POLB (0.67) HTTALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL22639867 0.76 GLA (1.00) GLAHTTALDH1A1MAPTSMN1; SMN2
SCHEMBL6483534 0.72 RAB9A (0.64) HTTALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL9872406 0.71 KMT2A (0.72) HTTALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL9870409 0.71 GPR84 (0.47) GLAALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL9677090 0.71 HRH4 (0.55) ALDH1A1MAPTSMN1; SMN2LMNATSHR
SCHEMBL9876064 0.70 GLA (0.72) GLAHTTALDH1A1MAPTSMN1; SMN2
SCHEMBL9676742 0.70 SMN1; SMN2 (0.48) HTTALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL20828281 0.69 LMNA (0.74) HTTALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL9678318 0.69 SMN1; SMN2 (0.47) ALDH1A1MAPTSMN1; SMN2LMNAHPGD

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-5037830-A Antisecretory-antiulcer agents RICHTER GEDEON VEGYESZETI GYAR RT (HU) 1991-08-06 US disclosed