SCHEMBL28211009

SCHEMBL28211009

Nc1ccc(-n2c3ccccc3c3ccccc32)c(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.44
MAPT P10636 7/20 0.44
MEN1 O00255 7/20 0.44
KMT2A Q03164 7/20 0.44
KDM4E B2RXH2 7/20 0.44
HPGD P15428 6/20 0.44
HSD17B10 Q99714 3/20 0.44
HTT P42858 2/20 0.44
MAPK1 P28482 1/20 0.44
HBB P68871 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
ATM Q13315 1/20 0.39
HTR6 P50406 1/20 0.37
RAB9A P51151 2/20 0.34
ALOX15 P16050 2/20 0.34
THRB P10828 1/20 0.34

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
Hydrochloric Acid SCHEMBL28210412 0.98 ALDH1A1 (0.42) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL27976306 0.81 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL3865125 0.81 KDM4E (0.48) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL29457349 0.81 KDM4E (0.48) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL31302096 0.80 KDM4E (0.50) ALDH1A1MAPTKDM4EL3MBTL1ATM
SCHEMBL16890288 0.79 KDM4E (0.46) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL30717256 0.79 KDM4E (0.39) ALDH1A1KDM4EL3MBTL1ATMHTR6
SCHEMBL25844972 0.79 KDM4E (0.39) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL27096205 0.79 KDM4E (0.39) ALDH1A1KDM4EL3MBTL1ATMHTR6
SCHEMBL782631 0.77 ALDH1A1 (0.50) ALDH1A1KDM4EL3MBTL1ATMGSK3A

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-107868089-A A kind of synthetic method of the Phenylindole of 5,12 dihydro 5 simultaneously [3,2 a] carbazole 河南省科学院化学研究所有限公司 2018-04-03 CN claimed
CN-107868089-B A kind of synthetic method of 5,12- dihydro -5- Phenylindole simultaneously [3,2-a] carbazole 河南省科学院化学研究所有限公司 2019-08-27 CN disclosed
CN-107868089-A A kind of synthetic method of the Phenylindole of 5,12 dihydro 5 simultaneously [3,2 a] carbazole 河南省科学院化学研究所有限公司 2018-04-03 CN disclosed