SCHEMBL28175642

SCHEMBL28175642

O=CC(=O)c1c2ccc(Br)cc2cc2cc(Br)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 2/20 0.45
▸ ALDH1A1 P00352 3/20 0.36
▸ HTT P42858 1/20 0.36
▸ CYP2A6 P11509 3/20 0.36
▸ RXFP1 Q9HBX9 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ NCEH1 Q6PIU2 3/20 0.36
▸ PIM1 P11309 1/20 0.35
▸ PRNP P04156 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ NR2E3 Q9Y5X4 1/20 0.34
▸ NCOR2 Q9Y618 1/20 0.34
▸ CES2 O00748 1/20 0.33
▸ GALR3 O60755 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL27785390 0.93 ERN1 (0.47) ERN1ALDH1A1HTTCYP2A6RXFP1
SCHEMBL28302678 0.80 MEN1 (0.43) ERN1ALDH1A1HTTCYP2A6RXFP1
SCHEMBL28084655 0.78 ERN1 (0.36) ERN1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL28084657 0.78 KMT2A (0.40) ERN1ALDH1A1CYP2A6RXFP1MEN1
SCHEMBL27770177 0.77 RXFP1 (0.46) ERN1ALDH1A1CYP2A6RXFP1MEN1
SCHEMBL27661280 0.75 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AKDM4ECYP1A2
SCHEMBL28337702 0.74 TERT (0.39) ALDH1A1CYP2A6MEN1KMT2AKDM4E
SCHEMBL27810256 0.73 ALDH1A1 (0.59) ERN1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL5427708 0.73 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ACES2KDM4E
SCHEMBL27304277 0.73 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AKDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113185525-A Thermal activation delayed fluorescent material and preparation method thereof 南昌万季科技有限公司 2021-07-30 — — CN disclosed
CN-107312523-A A kind of electroluminescent organic material and its preparation method and application 中节能万润股份有限公司 2017-11-03 — — CN disclosed
CN-107142103-A A kind of conjugated polymer electroluminescent organic material and its application and device comprising TADF monomers by skeleton of acridine 中节能万润股份有限公司 2017-09-08 — — CN disclosed
CN-105837478-A Bisulfonyl anthracenedione dioxime derivative serving as P2X<3> and P2X<2/3> receptor antagonists 成都理工大学 2016-08-10 — — CN disclosed
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