SCHEMBL9757372

SCHEMBL9757372

Nc1cccc2c1CN(c1c(F)cc3c(=O)c(C(=O)O)cn(-c4ccc(F)cc4)c3c1F)C2

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.48
LMNA P02545 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HPGD P15428 3/20 0.47
HSD17B10 Q99714 3/20 0.47
KDM4E B2RXH2 7/20 0.47
ALDH1A1 P00352 4/20 0.47
POLB P06746 1/20 0.47
HSP90AA1 P07900 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
TOP1 P11387 4/20 0.42
TOP2A P11388 4/20 0.42
TOP2B Q02880 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
ADRA2B P18089 1/20 0.38
MAPK1 P28482 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 0.92 LMNA (0.50) PIM1LMNAMEN1KMT2AHPGD
SCHEMBL9757148 0.90 LMNA (0.49) PIM1LMNAMEN1KMT2AHPGD
SCHEMBL9757156 0.90 TOP2A (0.47) LMNAMEN1KMT2AHPGDHSD17B10
SCHEMBL9757333 0.90 LMNA (0.50) PIM1LMNAMEN1KMT2AHPGD
SCHEMBL9757331 0.90 LMNA (0.48) PIM1LMNAMEN1KMT2AHPGD
SCHEMBL9757188 0.89 HPGD (0.55) PIM1LMNAMEN1KMT2AHPGD
SCHEMBL9757261 0.89 LMNA (0.49) PIM1LMNAMEN1KMT2AHPGD
SCHEMBL9757512 0.87 KDM4E (0.47) PIM1LMNAMEN1KMT2AHPGD
SCHEMBL9757405 0.86 PIM1 (0.49) PIM1LMNAMEN1KMT2AHPGD
SCHEMBL9757351 0.85 TOP1 (0.50) PIM1LMNAMEN1KMT2AHPGD

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