SCHEMBL15046382

SCHEMBL15046382

Brc1ccc2c(c1)C=CC(Br)C2

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PNMT P11086 11/20 0.36
ADRA2A P08913 4/20 0.36
ADRA2B P18089 3/20 0.36
ADRA2C P18825 3/20 0.36
TRPA1 O75762 1/20 0.33
KDM1A O60341 3/20 0.32
ASIC3 Q9UHC3 1/20 0.32

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
SCHEMBL5795736 0.74 SIRT2 (0.35) PNMTADRA2AADRA2BADRA2C
SCHEMBL225642 0.74 PARP1 (0.36)
SCHEMBL2965930 0.67 TRPA1 (0.37) PNMTADRA2AADRA2BADRA2CTRPA1
SCHEMBL28237453 0.65 KDM1A (0.32) KDM1A
SCHEMBL8122426 0.64 PNMT (0.42) PNMTADRA2AADRA2BADRA2CKDM1A
SCHEMBL2113127 0.64 PNMT (0.37) PNMTADRA2AADRA2BADRA2CTRPA1
SCHEMBL16294615 0.63 PARP1 (0.52) PNMTADRA2AADRA2BADRA2CTRPA1
SCHEMBL563921 0.63 TRPA1 (0.57) TRPA1
SCHEMBL14488054 0.63 KDM1A (0.52) PNMTADRA2AADRA2BADRA2CKDM1A
SCHEMBL31284536 0.63 KDM1A (0.52) PNMTADRA2AADRA2BADRA2CKDM1A

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
WO-2013089460-A1 NOVEL CHEMICAL COMPOUND HAVING AN ACRIDINE STRUCTURE, AND ORGANIC LIGHT-EMITTING DIODE USING SAME 주식회사 두산 (KR) 2013-06-20 WO disclosed