SCHEMBL28098934

SCHEMBL28098934

c1ccc(-c2ccc(-c3nnc(-c4ccc5ccc6cccnc6c5n4)o3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 4/20 0.54
NPC1 O15118 10/20 0.47
RAB9A P51151 10/20 0.47
SMN1; SMN2 Q16637 7/20 0.47
HPGD P15428 5/20 0.46
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPT P10636 2/20 0.46
ALOX15 P16050 2/20 0.46
HSD17B10 Q99714 2/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
ATAD2 Q6PL18 1/20 0.45
NFKB1 P19838 2/20 0.44
TP53 P04637 2/20 0.44
CYP3A4 P08684 2/20 0.44
TSHR P16473 2/20 0.44
GMNN O75496 1/20 0.44
LMNA P02545 1/20 0.44
HSP90AA1 P07900 1/20 0.44

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
SCHEMBL11987320 0.94 SMN1; SMN2 (0.50) ATRNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL11987326 0.93 ATR (0.48) ATRNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL11987337 0.92 ATR (0.49) ATRNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL5337509 0.90 RAB9A (0.59) NPC1RAB9ASMN1; SMN2HPGDKDM4E
SCHEMBL12445455 0.88 KDM4E (0.57) ATRNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL11987328 0.87 HSD17B10 (0.49) ATRNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4179426 0.87 ATR (0.49) ATRNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL5344919 0.87 SMN1; SMN2 (0.48) ATRNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL5340331 0.87 RAB9A (0.63) ATRNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL11987331 0.84 KDM4E (0.52) ATRNPC1RAB9ASMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106045990-B Phenanthroline derivatives and use thereof 机光科技股份有限公司 2017-12-01 CN disclosed
CN-106045990-A Phenanthroline derivatives and use thereof 机光科技股份有限公司 2016-10-26 CN disclosed
CN-106008498-A Phenanthroline derivative and organic electroluminescent device using same 机光科技股份有限公司 2016-10-12 CN disclosed