SCHEMBL16626586

SCHEMBL16626586

CNCc1cn([S+]([O-])c2cccnc2)c2cc(-c3cncnc3)ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
NR1D1 P20393 2/20 0.35
CYP2C19 P33261 5/20 0.33
CYP2A6 P11509 4/20 0.33
CYP2D6 P10635 4/20 0.33
CYP2C9 P11712 3/20 0.33
METAP2 P50579 1/20 0.32
NR4A2 P43354 1/20 0.31
CHEK1 O14757 1/20 0.31
HTR1D P28221 1/20 0.30
KDM4E B2RXH2 2/20 0.30
CYP1A2 P05177 2/20 0.30
CYP3A4 P08684 2/20 0.30
HPGD P15428 2/20 0.30
HSD17B10 Q99714 2/20 0.30
HDAC8 Q9BY41 1/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL16626590 0.88 L3MBTL1 (0.33) EPHX2PRMT6NR1D1CYP2C19CYP2D6
SCHEMBL16626086 0.84 GRIN2B (0.38) EPHX2PRMT6METAP2
SCHEMBL16626766 0.82 METAP2 (0.40) NR1D1CYP2C19CYP2D6CYP2C9METAP2
SCHEMBL19983774 0.82 BACE1 (0.34) NR1D1HDAC8
SCHEMBL16626750 0.81 RAB9A (0.36) EPHX2PRMT6KDM4EHPGDLMNA
SCHEMBL16626643 0.80 BACE1 (0.35) NR1D1
SCHEMBL16626676 0.80 P2RX7 (0.38) EPHX2PRMT6CHEK1HTR2C
SCHEMBL19984214 0.79 MEN1 (0.32) LMNAMAPK1HTR2CMEN1ALDH1A1
SCHEMBL19984136 0.79 MEN1 (0.39) METAP2HTR2CMEN1KMT2A
SCHEMBL16626433 0.78 EGFR (0.33) EPHX2PRMT6

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-2015050412-A1 SULFONYLINDOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2015-04-09 WO disclosed