SCHEMBL22687672

SCHEMBL22687672

c1ccc2cc(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc(-n5nc6ccccc6n5)cc4)cc3)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
HPGD P15428 2/20 0.44
HTT P42858 1/20 0.44
ALOX5 P09917 2/20 0.44
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
NPC1 O15118 4/20 0.38
MAPT P10636 4/20 0.38
RAB9A P51151 4/20 0.38
ALDH1A1 P00352 4/20 0.38
CYP17A1 P05093 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
SRC P12931 1/20 0.37
MEN1 O00255 1/20 0.36
STAT1 P42224 1/20 0.36
KMT2A Q03164 1/20 0.36
BACE1 P56817 1/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL30443096 1.00 KDM4E (0.44) KDM4EHPGDHTTALOX5ESR1
SCHEMBL22687027 1.00 KDM4E (0.44) KDM4EHPGDHTTALOX5ESR1
SCHEMBL22181779 0.94 KDM4E (0.44) KDM4EHPGDHTTALOX5ESR1
SCHEMBL22007462 0.94 KDM4E (0.44) KDM4EHPGDHTTALOX5ESR1
SCHEMBL26833818 0.91 ALOX5 (0.42) KDM4EHPGDHTTALOX5ESR1
SCHEMBL30442871 0.89 KDM4E (0.40) KDM4EHPGDHTTALOX5ESR1
SCHEMBL22687364 0.89 KDM4E (0.40) KDM4EHPGDHTTALOX5ESR1
SCHEMBL22007463 0.88 ALOX5 (0.42) KDM4EHPGDHTTALOX5ESR1
SCHEMBL22653489 0.84 KDM4E (0.59) KDM4EHPGDHTTALOX5NPC1
SCHEMBL22688044 0.84 KDM4E (0.59) KDM4EHPGDHTTALOX5NPC1

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
US-20200365809-A1 ORGANIC EL DEVICE, AMINE COMPOUND HAVING BENZAZOLE RING STRUCTURE, AND METHOD IN WHICH SAID AMINE COMPOUND IS USED IN CAPPING LAYER OF ORGANIC EL DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2020-11-19 US disclosed