SCHEMBL5048301

SCHEMBL5048301

CC(C)(C)OC(=O)n1c(-c2ccc(Cl)c3c2C(=O)NC3)cc2cc(CN3CCC(c4ccccc4)CC3)ccc21

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
CHRM4 P08173 1/20 0.37
DRD2 P14416 2/20 0.37
DRD4 P21917 1/20 0.37
NR1H2 P55055 7/20 0.36
NR1H3 Q13133 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PARP1 P09874 4/20 0.36
PARP2 Q9UGN5 1/20 0.35
TP53 P04637 3/20 0.35
THRB P10828 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL3038085 0.91 KDM4E (0.37) BRD4CREBBPDRD4NR1H2NR1H3
SCHEMBL3037652 0.91 BRD4 (0.38) BRD4CREBBPDRD4NR1H2NR1H3
SCHEMBL3044252 0.91 BRD4 (0.36) BRD4CREBBPDRD4NR1H2NR1H3
SCHEMBL3043652 0.89 HSP90AA1 (0.37) BRD4CREBBPDRD4NR1H2NR1H3
SCHEMBL3047029 0.89 NR1H2 (0.37) BRD4CREBBPNR1H2NR1H3PARP1
SCHEMBL3048885 0.89 GPR119 (0.37) BRD4CREBBPDRD4NR1H2NR1H3
SCHEMBL3047413 0.88 NR1H2 (0.36) BRD4CREBBPNR1H2NR1H3
SCHEMBL3042114 0.88 SMN1; SMN2 (0.39) BRD4CREBBPNR1H2MEN1KMT2A
SCHEMBL3047734 0.88 VEGFA (0.40) NR1H2
SCHEMBL3044062 0.87 PARP1 (0.45) DRD2NR1H2MEN1KMT2APARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1804788-A4 DETECTION AND ANALYSIS OF OPHTHALMICALLY-RELEVANT FLUORESCENT MOLECULES SIRION THERAPEUTICS INC (US) 2008-05-21 EP disclosed
EP-1880993-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-23 EP disclosed
EP-1804788-A2 DETECTION AND ANALYSIS OF OPHTHALMICALLY-RELEVANT FLUORESCENT MOLECULES Sirion Therapeutics, Inc. (US) 2007-07-11 EP disclosed
WO-2006047475-A2 DETECTION AND ANALYSIS OF OPHTHALMICALLY-RELEVANT FLUORESCENT MOLECULES SYTERA, INC. (US) 2006-05-04 WO disclosed