SCHEMBL24009010

SCHEMBL24009010

COc1ccc2c(C)cc(C)nc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 6/20 0.58
NPSR1 Q6W5P4 2/20 0.56
KDM4E B2RXH2 8/20 0.55
ALDH1A1 P00352 6/20 0.55
HPGD P15428 5/20 0.55
CYP1A2 P05177 3/20 0.55
HSD17B10 Q99714 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
TSHR P16473 1/20 0.55
HBB P68871 1/20 0.55
CYP2C19 P33261 1/20 0.55
NQO2 P16083 2/20 0.51
MAPT P10636 3/20 0.50
KMT2A Q03164 2/20 0.50
RAD52 P43351 1/20 0.49
PRNP P04156 1/20 0.48
MPO P05164 1/20 0.48
ACHE P22303 1/20 0.48
LMNA P02545 2/20 0.47
MEN1 O00255 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
SCHEMBL8103092 0.85 POLB (0.66) POLBNPSR1KDM4EALDH1A1HPGD
SCHEMBL8301655 0.82 BACE1 (0.56) NPSR1KDM4EALDH1A1HPGDCYP1A2
SCHEMBL5427929 0.82 KDM4E (0.52) POLBNPSR1KDM4EALDH1A1HPGD
SCHEMBL438970 0.82 NR4A2 (0.60) POLBNPSR1KDM4EALDH1A1HPGD
SCHEMBL8139912 0.82 NPSR1 (0.54) POLBNPSR1KDM4EALDH1A1HPGD
SCHEMBL5256820 0.82 NPSR1 (0.54) POLBNPSR1KDM4EALDH1A1HPGD
SCHEMBL859440 0.82 MAPT (0.57) POLBNPSR1KDM4EALDH1A1HPGD
SCHEMBL5433758 0.82 KDM4E (0.56) POLBNPSR1KDM4EALDH1A1HPGD
SCHEMBL5262076 0.81 NPSR1 (0.52) POLBNPSR1KDM4EALDH1A1HPGD
SCHEMBL26400644 0.80 NPSR1 (0.51) POLBNPSR1KDM4EALDH1A1HPGD

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-2021225969-A1 IMINO SULFANONE INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2021-11-11 WO disclosed