SCHEMBL30007632

SCHEMBL30007632

CC1(C)c2ccccc2N(c2ccccc2)c2ccc(Br)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.44
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
PDE4B Q07343 1/20 0.36
KMT2A Q03164 7/20 0.35
MEN1 O00255 6/20 0.35
LMNA P02545 6/20 0.35
MAPT P10636 6/20 0.35
ALDH1A1 P00352 5/20 0.35
MAPK1 P28482 4/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
GAA P10253 4/20 0.35
THRB P10828 1/20 0.35
RECQL P46063 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ITGB2 P05107 1/20 0.35
ICAM1 P05362 1/20 0.35
ITGAL P20701 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
SCHEMBL31917 1.00 PGR (0.44) PGRGABRA1GABRB2PDE4BKMT2A
SCHEMBL2455376 0.95 PGR (0.47) PGRGABRA1GABRB2PDE4BKMT2A
SCHEMBL30661292 0.95 PGR (0.47) PGRGABRA1GABRB2PDE4BKMT2A
SCHEMBL18494548 0.92 PGR (0.43) PGRGABRA1GABRB2PDE4BKMT2A
SCHEMBL15046221 0.91 EGLN1 (0.42) PGRGABRA1GABRB2PDE4BKMT2A
SCHEMBL25245117 0.91 PGR (0.41) PGRPDE4BKMT2AMEN1LMNA
SCHEMBL29832940 0.91 PGR (0.41) PGRPDE4BKMT2AMEN1LMNA
SCHEMBL15020024 0.89 PGR (0.38) PGRGABRA1GABRB2PDE4BKMT2A
SCHEMBL15030712 0.89 PGR (0.43) PGRGABRA1GABRB2PDE4BKMT2A
SCHEMBL15046447 0.88 PGR (0.44) PGRPDE4BKMT2AMEN1LMNA

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-113072547-B Compound and triplet-triplet annihilation up-conversion system 广东工业大学 2022-10-21 CN claimed