SCHEMBL8964803

SCHEMBL8964803

COc1ccc(Sc2ccccc2N)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
POLB P06746 1/20 0.54
SLC6A2 P23975 2/20 0.54
SLC6A4 P31645 2/20 0.54
SLC6A3 Q01959 2/20 0.54
DHFR P00374 1/20 0.52
MMP2 P08253 6/20 0.49
MMP9 P14780 6/20 0.49
MMP12 P39900 6/20 0.49
HTR1A P08908 1/20 0.49
HTR3A P46098 1/20 0.49
PTGIR P43119 2/20 0.46
EGFR P00533 1/20 0.46
TYMS P04818 1/20 0.46
PDGFRB P09619 1/20 0.46
MMP14 P50281 3/20 0.46
MAPT P10636 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
ALDH1A1 P00352 3/20 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
SCHEMBL30548759 0.86 MEN1 (0.62) MEN1KMT2APOLBDHFRMMP2
SCHEMBL25385867 0.81 DHFR (0.57) MEN1KMT2APOLBSLC6A2SLC6A4
SCHEMBL30567150 0.81 DHFR (0.57) MEN1KMT2APOLBSLC6A2SLC6A4
SCHEMBL14486804 0.80 PTGIR (0.49) MEN1KMT2APOLBSLC6A2SLC6A4
SCHEMBL2887154 0.79 AR (0.55) MEN1KMT2APOLBDHFRMMP2
SCHEMBL20591216 0.79 MEN1 (0.55) MEN1KMT2APOLBDHFRMMP2
SCHEMBL2970197 0.79 SLC6A2 (0.57) MEN1KMT2APOLBSLC6A2SLC6A4
SCHEMBL546833 0.79 DHFR (0.49) MEN1KMT2APOLBSLC6A2SLC6A4
SCHEMBL3095695 0.78 CYP3A4 (0.56) MEN1KMT2APOLBSLC6A2SLC6A4
SCHEMBL3542179 0.78 MEN1 (0.54) MEN1KMT2APOLBDHFRMMP2

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-5587112-A DETECTION AND MEASUREMENT OF HIGH ENERGY PARTICLES AND ELECTROMAGNETC RADIATION PHILADELPHIA COLLEGE OF PHARMACY AND SCIENCE (US) 1996-12-24 US disclosed