SCHEMBL28811123

SCHEMBL28811123

COc1cc2c(cc1Br)c1cc(Br)c(OC)cc1n2Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.51
PLA2G2A P14555 2/20 0.48
TSHR P16473 2/20 0.46
CYP19A1 P11511 1/20 0.46
KMT2A Q03164 3/20 0.45
MAPK1 P28482 1/20 0.45
BRD4 O60885 1/20 0.45
HTR2A P28223 2/20 0.44
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
EDNRB P24530 1/20 0.43
EDNRA P25101 1/20 0.43
NTRK1 P04629 1/20 0.43
GFER P55789 1/20 0.42
P2RX4 Q99571 1/20 0.41

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
SCHEMBL29868526 1.00 SRC (0.51) SRCPLA2G2ATSHRCYP19A1KMT2A
SCHEMBL28947614 0.94 CYP19A1 (0.57) SRCPLA2G2ATSHRCYP19A1KMT2A
SCHEMBL9370571 0.87 SRC (0.57) SRCPLA2G2ATSHRCYP19A1KMT2A
SCHEMBL7970086 0.77 SRC (0.63) SRCTSHRKMT2AALDH1A1KDM4E
SCHEMBL29337218 0.76 SRC (0.51) SRCPLA2G2ATSHRCYP19A1KMT2A
SCHEMBL30409139 0.74 PLA2G2A (0.60) PLA2G2ATSHRCYP19A1KMT2ABRD4
SCHEMBL31609288 0.74 MEN1 (0.39) TSHRKMT2AHTR2AALDH1A1
SCHEMBL24236643 0.74 MEN1 (0.49) PLA2G2ATSHRKMT2AALDH1A1KDM4E
SCHEMBL7970968 0.73 TSHR (0.47) SRCPLA2G2ATSHRKMT2AMAPK1
SCHEMBL4256771 0.72 MEN1 (0.46) TSHRKMT2AMAPK1ALDH1A1KDM4E

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-114874251-A Silicon center chiral silanol and synthetic method thereof 南方科技大学 2022-08-09 CN disclosed