SCHEMBL9044502

SCHEMBL9044502

C[C@@H]1CN(c2cc3c(cc2F)c(=O)c(OC(=O)O)cn3-c2cccc(N3C[C@@H](C)N[C@@H](C)C3)c2F)C[C@H](C)N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ALDH1A1 P00352 8/20 0.39
▸ KDM4E B2RXH2 8/20 0.39
▸ HSD17B10 Q99714 7/20 0.39
▸ HPGD P15428 6/20 0.39
▸ TOP1 P11387 4/20 0.39
▸ TSHR P16473 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ TOP2A P11388 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ TOP2B Q02880 1/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ CYP2J2 P51589 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ MAPT P10636 1/20 0.35

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
SCHEMBL9433981 0.89 LMNA (0.52) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL9044497 0.89 LMNA (0.52) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL9046442 0.84 ALDH1A1 (0.56) LMNAMEN1KMT2AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL9045062 0.83 ALDH1A1 (0.58) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL9043926 0.82 HPGD (0.48) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL10817831 0.82 KDM4E (0.54) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL8899520 0.78 KDM4E (0.48) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL10915149 0.78 HPGD (0.44) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL9046101 0.78 ALDH1A1 (0.47) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL10912098 0.75 KDM4E (0.43) 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
EP-0422485-B1 Quinolone carboxylic acid derivatives, process for their preparation and their use BAYER AG (DE) 1996-04-03 — — EP disclosed
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