SCHEMBL16626459

SCHEMBL16626459

CNCc1cn([S+]([O-])c2cccnc2)c2cc(Nc3ccc4c(c3)OCCO4)ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
TP53 P04637 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
KDR P35968 1/20 0.37
TUBB4A P04350 2/20 0.37
TUBB P07437 2/20 0.37
TUBA3C P0DPH7 2/20 0.37
TUBA1B P68363 2/20 0.37
TUBA4A P68366 2/20 0.37
TUBB4B P68371 2/20 0.37
TUBB3 Q13509 2/20 0.37
TUBB2A Q13885 2/20 0.37
TUBB8 Q3ZCM7 2/20 0.37

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
SCHEMBL19984214 0.85 MEN1 (0.32) ALDH1A1MAPTMAPK1NAMPTMEN1
SCHEMBL19984136 0.85 MEN1 (0.39) MAPTCDK2GSK3BNAMPTMEN1
SCHEMBL16626672 0.82 ALDH1A1 (0.35) GAAALDH1A1KDM4EMAPTNPC1
SCHEMBL16626730 0.82 EGFR (0.38) ALDH1A1MAPTSMN1; SMN2NPC1NAMPT
SCHEMBL16626433 0.82 EGFR (0.33)
SCHEMBL16626457 0.82 PARP14 (0.33)
SCHEMBL16626370 0.81 MAPK8 (0.35) ALDH1A1SMN1; SMN2NPC1RAB9ANAMPT
SCHEMBL19984086 0.81 EGFR (0.34)
SCHEMBL16626715 0.81 GRM4 (0.33) KDR
SCHEMBL16626476 0.81

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