SCHEMBL9044497

SCHEMBL9044497

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ ALDH1A1 P00352 9/20 0.51
▸ KDM4E B2RXH2 8/20 0.51
▸ HSD17B10 Q99714 8/20 0.51
▸ HPGD P15428 7/20 0.51
▸ TOP1 P11387 5/20 0.47
▸ TSHR P16473 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ TOP2A P11388 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ TOP2B Q02880 1/20 0.46
▸ BRD4 O60885 1/20 0.46
▸ CYP2J2 P51589 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ DRD3 P35462 1/20 0.45
▸ MAPT P10636 1/20 0.44
▸ USP2 O75604 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
SCHEMBL9433981 1.00 LMNA (0.52) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL9044502 0.89 LMNA (0.40) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL8484857 0.85 LMNA (0.49) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL8131440 0.84 LMNA (0.49) LMNAMEN1KMT2AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL8128860 0.83 ALDH1A1 (0.50) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL9047805 0.83 ALDH1A1 (0.72) LMNAMEN1KMT2AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL9433661 0.82 ALDH1A1 (0.74) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL9686810 0.82 ALDH1A1 (0.50) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL8131272 0.81 LMNA (0.53) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL9434528 0.81 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 3 patents. 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
US-5300643-A Viricides BAYER AKTIENGESELLSCHAFT (DE) 1994-04-05 — — US disclosed
US-5217972-A QUINOLONECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS ANTIVIRAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1993-06-08 — — US disclosed
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