SCHEMBL7300381

SCHEMBL7300381

CC1(C)C=C(n2cc(Cl)ccc2=O)c2cccnc2O1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
TNKS O95271 2/20 0.30
ADRA2A P08913 1/20 0.30
DRD4 P21917 1/20 0.30
HTR2A P28223 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL7300635 0.86 TNKS (0.30) TNKS
SCHEMBL7298334 0.84 TNKS (0.33) LMNATNKSMAPTSMN1; SMN2
SCHEMBL7378273 0.83 CDK8 (0.32)
SCHEMBL7292763 0.83 SMN1; SMN2 (0.36) TNKSSMN1; SMN2
SCHEMBL7297727 0.83 TDP1 (0.37) LMNAMAPT
SCHEMBL7301120 0.82 NR4A2 (0.31) LMNAMAPTSMN1; SMN2
SCHEMBL7299641 0.81 HRH4 (0.33)
SCHEMBL7300227 0.81 MEN1 (0.37) MAPTSMN1; SMN2
SCHEMBL7375797 0.81 NPC1 (0.32) TNKS
SCHEMBL7292929 0.79 NPBWR1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0308792-B1 AZACHROMANE DERIVATIVES MERCK PATENT GmbH (DE) 1993-07-28 EP disclosed
US-4931454-A Azachroman derivatives with effects on the cardiovascular system MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-06-05 US disclosed
EP-0308792-A2 Azachromane derivatives MERCK PATENT GmbH (DE) 1989-03-29 EP disclosed