SCHEMBL9056313

SCHEMBL9056313

CN(C)Cc1ccc(-n2cc(C(=O)O)c(=O)c3cc(F)c(F)c(Cl)c32)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 3/20 0.48
POLB P06746 1/20 0.48
HSP90AA1 P07900 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
HTT P42858 1/20 0.43
TOP1 P11387 2/20 0.42
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CHRM1 P11229 1/20 0.41
CYP3A4 P08684 4/20 0.39
CYP2C9 P11712 4/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
RORC P51449 2/20 0.38
PTPN1 P18031 1/20 0.37

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
SCHEMBL5529029 0.90 PIM1 (0.47) PIM1ALDH1A1KDM4EPOLBHSP90AA1
SCHEMBL9056323 0.88 PIM1 (0.37) PIM1ALDH1A1KDM4EPOLBHSP90AA1
SCHEMBL5919530 0.85 PIM1 (0.47) PIM1ALDH1A1KDM4EPOLBHSP90AA1
SCHEMBL5919638 0.85 LMNA (0.49) PIM1ALDH1A1KDM4EPOLBHSP90AA1
SCHEMBL9055056 0.84 ALDH1A1 (0.44) PIM1ALDH1A1KDM4EPOLBHSP90AA1
SCHEMBL9048080 0.84 ALDH1A1 (0.55) PIM1ALDH1A1KDM4EPOLBHSP90AA1
SCHEMBL9055161 0.83 LMNA (0.53) PIM1ALDH1A1KDM4EPOLBHSP90AA1
SCHEMBL5919385 0.82 HPGD (0.44) PIM1ALDH1A1KDM4EPOLBHSP90AA1
SCHEMBL8801305 0.82 PIM1 (0.48) PIM1ALDH1A1KDM4EPOLBHSP90AA1
SCHEMBL9056315 0.82 CSF1R (0.42) PIM1ALDH1A1KDM4EPOLBHSP90AA1

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-1996002510-A1 NOVEL 1-[4(AMINO METHYL)PHENYL] SUBSTITUTED QUINOLONE CARBOXYLIC ACIDS BAYER AKTIENGESELLSCHAFT (DE) 1996-02-01 WO disclosed