SCHEMBL9055161

SCHEMBL9055161

CN(C)Cc1ccc(-n2cc(C(=O)O)c(=O)c3cc(F)c(F)cc32)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 3/20 0.50
HPGD P15428 3/20 0.50
HSD17B10 Q99714 2/20 0.50
CAPN1 P07384 1/20 0.43
PIM1 P11309 3/20 0.42
GRM2 Q14416 1/20 0.42
HTT P42858 1/20 0.41
TOP1 P11387 3/20 0.41
POLB P06746 2/20 0.40
HSP90AA1 P07900 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
DRD3 P35462 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL9055817 0.88 LMNA (0.50) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL9055165 0.87 LMNA (0.40) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL5868709 0.83 LMNA (0.68) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL9056313 0.83 PIM1 (0.48) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL10757460 0.82 CAPN1 (0.60) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL6211761 0.81 LMNA (0.57) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL9056315 0.81 CSF1R (0.42) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL14860276 0.81 LMNA (0.56) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL8137475 0.80 ALDH1A1 (0.61) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL10760272 0.80 LMNA (0.56) LMNAMEN1KMT2AALDH1A1KDM4E

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