SCHEMBL9695000

SCHEMBL9695000

CNc1ccccc1CSc1nc2ncccc2[nH]1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.71
SMN1; SMN2 Q16637 5/20 0.71
RAB9A P51151 5/20 0.71
HPGD P15428 5/20 0.71
NPC1 O15118 4/20 0.71
ALDH1A1 P00352 4/20 0.71
BACE1 P56817 1/20 0.71
HSD17B10 Q99714 1/20 0.71
NPSR1 Q6W5P4 1/20 0.58
POLB P06746 2/20 0.55
LMNA P02545 3/20 0.55
KMT2A Q03164 1/20 0.53
NOS3 P29474 1/20 0.52
NOS1 P29475 1/20 0.52
NOS2 P35228 1/20 0.52
PDE10A Q9Y233 1/20 0.52
ATM Q13315 1/20 0.48
PPARG P37231 1/20 0.47
NCOA2 Q15596 1/20 0.47
NCOA1 Q15788 1/20 0.47

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
SCHEMBL9695371 0.85 TP53 (0.64) TP53SMN1; SMN2RAB9AHPGDNPC1
SCHEMBL6475635 0.82 RAB9A (0.68) TP53SMN1; SMN2RAB9AHPGDNPC1
SCHEMBL9693713 0.82 TP53 (0.63) TP53SMN1; SMN2RAB9AHPGDNPC1
SCHEMBL9695295 0.80 TP53 (0.67) TP53SMN1; SMN2RAB9AHPGDNPC1
SCHEMBL10574131 0.76 CYP1A2 (0.72) TP53SMN1; SMN2RAB9AHPGDNPC1
SCHEMBL9693793 0.75 TP53 (0.60) TP53SMN1; SMN2RAB9AHPGDNPC1
SCHEMBL29278179 0.74 TP53 (1.00) TP53SMN1; SMN2RAB9AHPGDNPC1
SCHEMBL9012067 0.73 HDAC1 (0.46) TP53SMN1; SMN2RAB9AHPGDNPC1
SCHEMBL9693721 0.73 PDE5A (0.42) TP53SMN1; SMN2RAB9AHPGDNPC1
SCHEMBL9012301 0.72 LMNA (0.42) TP53SMN1; SMN2RAB9AHPGDNPC1

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-5106976-A Antisecretory agents NIPPON CHEMIPHAR CO., LTD. (JP) 1992-04-21 US disclosed
US-4933458-A ANTISECRETORY AGENTS NIPPON CHEMIPHAR CO., LTD. (JP) 1990-06-12 US disclosed