SCHEMBL9667992

SCHEMBL9667992

CC1(N)CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)C1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.72
MEN1 O00255 1/20 0.72
KMT2A Q03164 1/20 0.72
ALDH1A1 P00352 7/20 0.68
KDM4E B2RXH2 7/20 0.68
HSD17B10 Q99714 5/20 0.68
HPGD P15428 4/20 0.68
DRD3 P35462 1/20 0.46
BRD4 O60885 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
CYP2J2 P51589 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 1/20 0.45
HSP90AA1 P07900 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
TOP1 P11387 1/20 0.45
PIM1 P11309 1/20 0.44
MAPT P10636 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL9666235 0.90 LMNA (0.58) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL9668000 0.88 LMNA (0.56) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL10406905 0.84 LMNA (0.64) LMNAMEN1KMT2AALDH1A1KDM4E
Difloxacin SCHEMBL148765 0.84 LMNA (1.00) LMNAMEN1KMT2AALDH1A1KDM4E
Difloxacin SCHEMBL29695838 0.84 LMNA (1.00) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL16518632 0.83 LMNA (0.81) LMNAMEN1KMT2AALDH1A1KDM4E
Difloxacin SCHEMBL203110 0.83 LMNA (0.98) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL11009907 0.82 MEN1 (0.81) LMNAMEN1KMT2AALDH1A1KDM4E
Difloxacin SCHEMBL27973383 0.82 LMNA (0.96) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL9668529 0.82 KDM4E (0.52) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0324298-B1 7-(1-AZETIDINYL)-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXYLIC-ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1992-12-23 EP claimed
US-4927926-A BACTERICIDES LABORATORIOS DEL DR. ESTEVE S.A. (ES) 1990-05-22 US disclosed