SCHEMBL9735381

SCHEMBL9735381

CC1(C)C=C(n2c(Cl)cccc2=O)c2cc(C#N)ccc2C1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.37
NSD2 O96028 1/20 0.34
POLB P06746 1/20 0.32
CASP3 P42574 1/20 0.32
PRF1 P14222 2/20 0.32
BACE1 P56817 7/20 0.32
CTSD P07339 2/20 0.32
ABCC9 O60706 2/20 0.31
ABCC8 Q09428 1/20 0.31
KCNJ11 Q14654 1/20 0.31
KCNJ8 Q15842 1/20 0.31
MALT1 Q9UDY8 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31

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
SCHEMBL9733784 0.80 CYP11B2 (0.35) PGRNSD2POLBCASP3BACE1
SCHEMBL9733284 0.80 HTR1A (0.37) PGRNSD2POLBCASP3BACE1
SCHEMBL9735211 0.78 ABCC9 (0.34) PGRNSD2POLBCASP3ABCC9
SCHEMBL8088432 0.78 PDE4A (0.43) NSD2CASP3ABCC9ABCC8KCNJ11
SCHEMBL9733746 0.77 PGR (0.34) PGRNSD2POLBCASP3BACE1
SCHEMBL9733957 0.76 CYP19A1 (0.35) PGRPOLBCASP3BACE1ABCC9
SCHEMBL9734810 0.75 ABCC9 (0.32) PGRPOLBCASP3ABCC9MALT1
SCHEMBL9733886 0.75 PGR (0.34) PGRNSD2POLBCASP3BACE1
SCHEMBL9734020 0.75 CYP11B2 (0.37) PGRPOLBCASP3BACE1MALT1
SCHEMBL9733622 0.74 POLB (0.35) PGRNSD2POLBCASP3BACE1

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