SCHEMBL9732145

SCHEMBL9732145

CN1CCC(c2c(F)cc3c(=O)c(C(=O)O)cn(-c4ccc(F)cc4)c3c2N)C1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.54
LMNA P02545 2/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
POLB P06746 1/20 0.44
HSP90AA1 P07900 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
TOP1 P11387 6/20 0.42
TOP2A P11388 5/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
TOP2B Q02880 2/20 0.40

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
SCHEMBL9732888 0.95 PIM1 (0.52) PIM1LMNAKMT2AMEN1KDM4E
SCHEMBL9732912 0.94 LMNA (0.55) PIM1LMNAKMT2AMEN1KDM4E
SCHEMBL9731339 0.84 PIM1 (0.54) PIM1LMNAKMT2AMEN1KDM4E
SCHEMBL9733307 0.84 ALDH1A1 (0.53) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9731403 0.83 PIM1 (0.53) PIM1LMNAKMT2AMEN1KDM4E
SCHEMBL9731270 0.83 PIM1 (0.52) PIM1LMNAKMT2AMEN1KDM4E
SCHEMBL9730945 0.82 PIM1 (0.52) PIM1LMNAKMT2AMEN1KDM4E
SCHEMBL9730689 0.82 PIM1 (0.51) PIM1LMNAKMT2AMEN1KDM4E
SCHEMBL9733323 0.81 PIM1 (0.51) PIM1LMNAKMT2AMEN1KDM4E
SCHEMBL9732049 0.81 PIM1 (0.51) PIM1LMNAKMT2AMEN1KDM4E

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-5081254-A Antibacterial agents WARNER-LAMBERT COMPANY (US) 1992-01-14 US disclosed
US-4929613-A Antibacterial agents WARNER-LAMBERT COMPANY (US) 1990-05-29 US disclosed