SCHEMBL9733508

SCHEMBL9733508

CC1(C)C=C(n2cc(Br)cc(Br)c2=O)c2cc(C#N)ccc2C1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.32
POLB P06746 1/20 0.32
CASP3 P42574 1/20 0.32
MALT1 Q9UDY8 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ALK Q9UM73 4/20 0.31
SRPK2 P78362 1/20 0.30
SRPK1 Q96SB4 1/20 0.30
EML4 Q9HC35 1/20 0.30
BACE1 P56817 1/20 0.30

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
SCHEMBL9734137 0.89 BACE1 (0.35) PGRPOLBCASP3ALKBACE1
SCHEMBL9735213 0.89 POLB (0.33) PGRPOLBCASP3ALKBACE1
SCHEMBL9733168 0.87 ABCC9 (0.34) ALK
SCHEMBL9733596 0.86 VCAM1 (0.34) ALK
SCHEMBL9733641 0.84 OTUD7B (0.31)
SCHEMBL9733537 0.84 EGLN2 (0.33) PGR
SCHEMBL9734810 0.80 ABCC9 (0.32) PGRPOLBCASP3MALT1HTR2A
SCHEMBL9733571 0.79 POLB (0.33) PGRPOLBCASP3BACE1
SCHEMBL9734001 0.79 POLB (0.33) PGRPOLBCASP3ALKBACE1
SCHEMBL8085129 0.78 PDE4A (0.43) CASP3MALT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5132307-A TETRALIN COMPOUNDS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-07-21 US disclosed
EP-0368160-A1 Tetralin derivatives MERCK PATENT GmbH (DE) 1990-05-16 EP disclosed