SCHEMBL6403906

SCHEMBL6403906

NCc1c(Br)ccc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
KDM4E B2RXH2 5/20 0.60
MAPT P10636 4/20 0.60
GAA P10253 3/20 0.60
TAAR1 Q96RJ0 1/20 0.60
HTR2A P28223 1/20 0.57
HSD17B10 Q99714 5/20 0.44
TDP1 Q9NUW8 2/20 0.44
TSHR P16473 2/20 0.44
CYP2A6 P11509 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
HPRT1 P00492 1/20 0.41
POLB P06746 1/20 0.41
HIF1A Q16665 2/20 0.38
CYP1B1 Q16678 1/20 0.38
HPGD P15428 2/20 0.38
GLA P06280 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL20561934 0.84 TAAR1 (0.47) ALDH1A1KDM4EMAPTGAATAAR1
SCHEMBL8988212 0.81 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTGAATAAR1
SCHEMBL15351705 0.79 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTGAATAAR1
SCHEMBL7783948 0.79 NCEH1 (0.45) ALDH1A1KDM4EMAPTGAATAAR1
SCHEMBL18070730 0.79 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTGAATAAR1
SCHEMBL18070732 0.79 HSD17B10 (0.48) ALDH1A1KDM4EMAPTGAATAAR1
SCHEMBL4351690 0.79 ALDH1A1 (0.60) ALDH1A1KDM4EMAPTGAATAAR1
SCHEMBL3674867 0.78 HTR2A (0.67) ALDH1A1KDM4EMAPTGAATAAR1
Hydrochloric Acid SCHEMBL6251241 0.78 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTGAATAAR1
SCHEMBL10751032 0.77 ALDH1A1 (0.62) ALDH1A1KDM4EMAPTGAATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111575001-A Organic-inorganic hybrid perovskite emitting room-temperature phosphorescence and preparation method and application thereof 深圳大学 2020-08-25 CN claimed
CN-111575001-A Organic-inorganic hybrid perovskite emitting room-temperature phosphorescence and preparation method and application thereof 深圳大学 2020-08-25 CN disclosed
CN-111575001-A Organic-inorganic hybrid perovskite emitting room-temperature phosphorescence and preparation method and application thereof 深圳大学 2020-08-25 CN disclosed
US-6960640-B2 Composition for optical material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-20040147708-A1 Composition for optical material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-07-29 US disclosed
EP-1426392-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-06-09 EP disclosed