SCHEMBL9757261

SCHEMBL9757261

COc1cccc2c1CN(c1c(F)cc3c(=O)c(C(=O)O)cn(-c4ccc(F)cc4)c3c1F)C2

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 4/20 0.46
POLB P06746 2/20 0.46
HSP90AA1 P07900 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
RORC P51449 3/20 0.44
PIM1 P11309 2/20 0.44
TOP1 P11387 3/20 0.40
HTT P42858 1/20 0.39
TOP2A P11388 2/20 0.39
TOP2B Q02880 1/20 0.39
CYP2C19 P33261 1/20 0.38

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
SCHEMBL9757293 0.91 LMNA (0.50) LMNAMEN1KMT2AHPGDHSD17B10
SCHEMBL9757512 0.90 KDM4E (0.47) LMNAMEN1KMT2AHPGDHSD17B10
SCHEMBL9757262 0.90 KDM4E (0.45) LMNAMEN1KMT2AHPGDHSD17B10
SCHEMBL9757148 0.90 LMNA (0.49) LMNAMEN1KMT2AHPGDHSD17B10
SCHEMBL9757333 0.89 LMNA (0.50) LMNAMEN1KMT2AHPGDHSD17B10
SCHEMBL9757372 0.89 PIM1 (0.48) LMNAMEN1KMT2AHPGDHSD17B10
SCHEMBL9757331 0.89 LMNA (0.48) LMNAMEN1KMT2AHPGDHSD17B10
SCHEMBL9757188 0.88 HPGD (0.55) LMNAMEN1KMT2AHPGDHSD17B10
SCHEMBL9757405 0.86 PIM1 (0.49) LMNAMEN1KMT2AHPGDHSD17B10
SCHEMBL9757546 0.84 KDM4E (0.52) LMNAMEN1KMT2AHPGDHSD17B10

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-5026856-A Bactericides WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1991-06-25 US disclosed
EP-0343560-A2 Isoindoline derivative WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1989-11-29 EP disclosed