SCHEMBL28030385

SCHEMBL28030385

Oc1cccc(-n2cccn2)n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
LMNA P02545 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
G6PD P11413 1/20 0.46
MAPK1 P28482 2/20 0.44
NPC1 O15118 1/20 0.44
NOTUM Q6P988 1/20 0.40
ERCC1 P07992 1/20 0.38
ERCC4 Q92889 1/20 0.38
GRM5 P41594 1/20 0.38
ADORA2A P29274 2/20 0.37
ADORA1 P30542 1/20 0.37
NLRP3 Q96P20 1/20 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
SCHEMBL199306 0.86 ALDH1A1 (0.65) KDM4EALDH1A1LMNAKMT2AMEN1
SCHEMBL31519065 0.84 ALDH1A1 (0.63) KDM4EALDH1A1LMNAKMT2AMEN1
SCHEMBL28812535 0.84 ALDH1A1 (0.63) KDM4EALDH1A1LMNAKMT2AMEN1
SCHEMBL3570306 0.77 KDM4E (0.50) KDM4EALDH1A1LMNAKMT2AMEN1
SCHEMBL31517328 0.77 ALDH1A1 (0.50) KDM4EALDH1A1LMNAKMT2AMEN1
SCHEMBL13473987 0.77 KDM4E (0.50) KDM4EALDH1A1LMNAKMT2AMAPT
SCHEMBL13822150 0.77 KDM4E (0.50) KDM4EALDH1A1LMNAMAPK1NPC1
SCHEMBL31653378 0.77 KDM4E (0.50) KDM4EALDH1A1LMNAKMT2AMAPT
SCHEMBL4289 0.77 KDM4E (0.50) KDM4EALDH1A1LMNAKMT2AMEN1
SCHEMBL30261053 0.77 KDM4E (0.50) KDM4EALDH1A1LMNAKMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104923297-B A kind of iridium catalyst for being catalyzed ammonia borane hydrolysis hydrogen manufacturing, preparation method and applications 大连理工大学 2017-08-22 CN disclosed
CN-104923297-A Iridium catalyst used for catalyzing ammonia borane hydrolysis hydrogen production process, and preparation method and application thereof UNIV DALIAN TECH 2015-09-23 CN disclosed