SCHEMBL9734810

SCHEMBL9734810

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

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 3/20 0.32
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
BRD4 O60885 1/20 0.31
BRD2 P25440 1/20 0.31
BRD3 Q15059 1/20 0.31
CREBBP Q92793 1/20 0.31
MIF P14174 2/20 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
SCHEMBL9734001 0.89 POLB (0.33) ABCC9PGRPOLBCASP3
SCHEMBL9733571 0.89 POLB (0.33) PGRPOLBCASP3
SCHEMBL9733591 0.87 VCAM1 (0.37) ABCC9
SCHEMBL9733247 0.86 VCAM1 (0.39) ABCC9
SCHEMBL9735211 0.86 ABCC9 (0.34) ABCC9PGRPOLBCASP3MALT1
SCHEMBL9733746 0.85 PGR (0.34) ABCC9PGRPOLBCASP3MALT1
SCHEMBL9733777 0.84 EGLN2 (0.33) ABCC9
SCHEMBL9733497 0.84 EGLN2 (0.38) PGR
SCHEMBL9733508 0.80 PGR (0.32) PGRPOLBCASP3MALT1HTR2A
SCHEMBL9734137 0.79 BACE1 (0.35) PGRPOLBCASP3

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