SCHEMBL28520510

SCHEMBL28520510

COc1ccc(C23CC4CC(c5ccc(OC)c(Br)c5)(C2)CC(c2ccc(OC)c(Br)c2)(C4)C3)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 3/20 0.37
MAPK1 P28482 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
HDAC1 Q13547 1/20 0.37
POLB P06746 2/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 1/20 0.36
TUBB1 Q9H4B7 2/20 0.36
MCOLN3 Q8TDD5 2/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL20790232 0.93 MAOA (0.42) MAOAALDH1A1KMT2AMEN1LMNA
SCHEMBL28510872 0.88 ALDH1A1 (0.46) MAOAALDH1A1KMT2AMEN1LMNA
SCHEMBL28510135 0.79 TUBB1 (0.40) ALDH1A1KMT2AMAPTTUBB1HTT
SCHEMBL28175883 0.78 CA2 (0.38) ALDH1A1KMT2AMAPTTUBB1HPGD
SCHEMBL31525445 0.77 MAOA (0.38) MAOAALDH1A1KMT2AMEN1LMNA
SCHEMBL28829926 0.73 ALDH1A1 (0.44) MAOAALDH1A1KMT2AMEN1LMNA
SCHEMBL3316206 0.72 EPHX2 (0.31)
SCHEMBL195534 0.71 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL31525303 0.71 ALDH1A1 (0.43) MAOAALDH1A1KMT2AMEN1LMNA
SCHEMBL251712 0.71 MAOA (0.44) MAOAALDH1A1KMT2AMEN1LMNA

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
CN-107324978-B Biphenyl substituted adamantane derivative monomolecular resin, positive photoresist composition and negative photoresist composition 中国科学院理化技术研究所 2020-10-02 CN disclosed