SCHEMBL21789003

SCHEMBL21789003

O=CCNC(c1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.58
RAB9A P51151 1/20 0.58
GRM7 Q14831 1/20 0.58
TSHR P16473 2/20 0.56
CYP3A4 P08684 1/20 0.56
ALOX15 P16050 1/20 0.56
ALDH1A1 P00352 4/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
ATM Q13315 3/20 0.41
LMNA P02545 2/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 2/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 2/20 0.38
CYP2D6 P10635 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL25697039 0.79 CYP3A4 (0.53) CYP3A4ALOX15ALDH1A1LMNAHSD17B10
SCHEMBL6724867 0.78 MTOR (0.58) MTORRAB9AGRM7TSHRCYP3A4
SCHEMBL11368221 0.76 CYP2D6 (0.47) ATMLMNAPOLBKMT2AMEN1
SCHEMBL8095249 0.74 MTOR (1.00) MTORRAB9AGRM7TSHRCYP3A4
SCHEMBL11087718 0.74 MTOR (0.52) MTORRAB9AGRM7TSHRCYP3A4
SCHEMBL8524972 0.72 LMNA (0.50) RAB9ATSHRCYP3A4ALOX15ALDH1A1
Hydrochloric Acid SCHEMBL3012657 0.72 CYP3A4 (1.00) MTORRAB9AGRM7TSHRCYP3A4
SCHEMBL28504259 0.71 GRM7 (0.48) MTORRAB9AGRM7TSHRCYP3A4
SCHEMBL2074728 0.70 EPHX1 (0.48) MTORRAB9AGRM7TSHRCYP3A4
SCHEMBL10411095 0.70 MTOR (0.81) MTORRAB9AGRM7TSHRCYP3A4

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-2020047447-A1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS, INC. (US) 2020-03-05 WO disclosed