SCHEMBL9701187

SCHEMBL9701187

O=C1CN(c2cccc(O)c2)C(=S)N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ESR1 P03372 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
POLB P06746 2/20 0.39
HSP90AA1 P07900 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MCL1 Q07820 1/20 0.39
KDM4E B2RXH2 3/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
OPRM1 P35372 1/20 0.39
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
DDB1 Q16531 1/20 0.38

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
SCHEMBL8076294 0.85 DDB1 (0.47) MEN1KMT2ANPC1RAB9AESR1
Benzene SCHEMBL27623238 0.80 KDM4E (0.59) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL62942 0.80 KDM4E (0.59) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL14096313 0.78 CTSG (0.45) MAPTKDM4EGAATDP1OPRM1
SCHEMBL11066478 0.77 MAPT (0.50) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL23120492 0.73 CRBN (0.69) MEN1KMT2ANPC1RAB9AESR1
SCHEMBL29606370 0.73 CRBN (0.69) MEN1KMT2ANPC1RAB9AESR1
SCHEMBL11071698 0.71 TSHR (0.37) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL8660440 0.71 MEN1 (0.38) MEN1KMT2AMAPTGAADDB1
Alanine SCHEMBL6904189 0.71 GAA (0.45) MEN1KMT2ANPC1RAB9AALDH1A1

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
WO-1992000526-A1 PEPTIDE SEQUENCING METHOD AND REAGENTS THEREFOR GARIEPY KATHLEEN COX (US) 1992-01-09 WO disclosed
US-4473393-A INSECTICIDES, MITICIDES, NEMATOCIDES, FUNGICIDES, AND HERBICIDE BUFFALO COLOR CORPORATION (US) 1984-09-25 US disclosed