SCHEMBL7971228

SCHEMBL7971228

Cc1c(C(=O)C(N)Cc2ccncc2)sc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRNP P04156 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HSD11B1 P28845 1/20 0.43
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LIMK1 P53667 2/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 2/20 0.38
CCR6 P51684 1/20 0.38
HIF1A Q16665 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALPI P09923 1/20 0.37
PKM P14618 1/20 0.37
PTGS1 P23219 1/20 0.37

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
Hydrochloric Acid SCHEMBL7987802 0.99 PRNP (0.42) PRNPRXFP1HSD11B1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL7970747 0.86 KMT2A (0.44) PRNPRXFP1HSD11B1CYP3A4HPGD
SCHEMBL717586 0.77 RXFP1 (0.52) PRNPRXFP1HSD11B1MAPTSMN1; SMN2
SCHEMBL7971230 0.76 HSD11B1 (0.48) PRNPRXFP1HSD11B1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL7987803 0.75 HSD11B1 (0.47) PRNPRXFP1HSD11B1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL7987838 0.71 TBXAS1 (0.47) PRNPRXFP1HSD11B1SMN1; SMN2ALDH1A1
SCHEMBL2610250 0.70 RXFP1 (0.61) PRNPRXFP1HSD11B1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL7980629 0.70 PRNP (0.48) PRNPRXFP1HSD11B1MAPTNPC1
Hydrochloric Acid SCHEMBL7984560 0.70 PRNP (0.45) PRNPRXFP1HSD11B1MAPTNPC1
SCHEMBL29483598 0.69 LIMK1 (0.68) PRNPRXFP1HSD11B1MAPTSMN1; SMN2

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
WO-2001007431-A2 BENZOTHIOPHENE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-02-01 WO claimed