SCHEMBL13705673

SCHEMBL13705673

O=c1[nH]c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 11/20 1.00
BRD4 O60885 3/20 0.53
PARP1 P09874 3/20 0.53
NR1H3 Q13133 1/20 0.52
RORA P35398 2/20 0.52
RORC P51449 2/20 0.52
RORB Q92753 2/20 0.52
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
TNKS O95271 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
GPR3 P46089 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
KMT2A Q03164 1/20 0.50
PARP15 Q460N3 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TNKS2 Q9H2K2 1/20 0.50

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
SCHEMBL11463987 0.75 PGR (0.59) PGRNR1H3KDM4EMEN1ALDH1A1
SCHEMBL27936896 0.74 KIF11 (0.68) PGRPARP1KDM4EMEN1TNKS
SCHEMBL2150990 0.73 PARP1 (0.64) PGRBRD4PARP1KDM4EMEN1
SCHEMBL15935048 0.73 PARP1 (0.64) PGRBRD4PARP1KDM4EMEN1
SCHEMBL11554945 0.71 MAP2 (0.60) PGRKDM4EMEN1ALDH1A1KMT2A
SCHEMBL11555822 0.70 PGR (0.54) PGRNR1H3RORARORCRORB
SCHEMBL11554157 0.70 PGR (0.53) PGRKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL11550795 0.70 MAP2 (0.65) PGRKDM4EMEN1ALDH1A1KMT2A
SCHEMBL30466766 0.69 PARP1 (0.64) PGRBRD4PARP1KDM4EMEN1
SCHEMBL7852218 0.69 PARP1 (0.64) PGRBRD4PARP1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009107389-A1 TRICYCLIC COMPOUND 国立大学法人東京大学 (JP) 2009-09-03 WO disclosed