SCHEMBL4659601

SCHEMBL4659601

COc1ccc(Cn2c(=O)c(-c3[c]cccc3)nc3ccc(OC)cc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.50
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CNR2 P34972 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
GABRA5 P31644 1/20 0.45
DCTPP1 Q9H773 2/20 0.44
P2RX4 Q99571 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL28430136 0.79 CFTR (0.57) BRD4LMNAALDH1A1KMT2A
SCHEMBL29388744 0.79 CFTR (0.57) BRD4LMNAALDH1A1KMT2A
SCHEMBL29386548 0.77 CFTR (0.55) BRD4LMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL28433786 0.77 CFTR (0.55) BRD4LMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL4311048 0.74 SCD (0.51) BRD4ALDH1A1
SCHEMBL17184347 0.73 CFTR (0.59) BRD4LMNAALDH1A1MAPTPOLB
SCHEMBL4316776 0.71 SCD (0.48) BRD4ALDH1A1
SCHEMBL5036280 0.70 HTT (0.59) BRD4KDM4ELMNAHTTALDH1A1
SCHEMBL4311696 0.70 CCR9 (0.48) BRD4ALDH1A1
SCHEMBL28430587 0.69 USP2 (0.49) BRD4LMNAALDH1A1KMT2A

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
EP-2004193-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2008-12-24 EP disclosed
WO-2007108968-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2007-09-27 WO disclosed