SCHEMBL8131440

SCHEMBL8131440

CC1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccncc2F)CC(C)N1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ ALDH1A1 P00352 7/20 0.49
▸ KDM4E B2RXH2 6/20 0.49
▸ HSD17B10 Q99714 6/20 0.49
▸ HPGD P15428 5/20 0.49
▸ HTT P42858 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ TOP2A P11388 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ TOP2B Q02880 1/20 0.44
▸ BRD4 O60885 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ CYP2J2 P51589 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ TOP1 P11387 3/20 0.44
▸ DRD3 P35462 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ EPHA2 P29317 1/20 0.42

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
Hydrochloric Acid SCHEMBL8128860 0.99 ALDH1A1 (0.50) LMNAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL8125324 0.90 ALDH1A1 (0.53) LMNAKMT2AMEN1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL8123111 0.90 ALDH1A1 (0.54) LMNAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL8131883 0.85 EPHA2 (0.58) LMNAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL9433981 0.84 LMNA (0.52) LMNAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL9044497 0.84 LMNA (0.52) LMNAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL8137058 0.84 ALDH1A1 (0.68) LMNAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL8137965 0.84 LMNA (0.69) LMNAKMT2AMEN1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL8130765 0.84 EPHA2 (0.57) LMNAKMT2AMEN1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL8121979 0.83 LMNA (0.68) LMNAKMT2AMEN1ALDH1A1KDM4E

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-0713487-B1 NOVEL QUINOLONE CARBOXYLIC ACID DERIVATIVES DONG WHA PHARM IND CO LTD (KR) 2000-04-19 — — EP disclosed
US-5496947-A BACTERICIDES DONG WHA PHARMACEUTICAL INDUSTRIAL CO., LTD. (KR) 1996-03-05 — — US disclosed
WO-1995005373-A1 NOVEL QUINOLONE CARBOXYLIC ACID DERIVATIVES DONG WHA PHARMACEUTICAL INDUSTRIAL CO., LTD. (KR) 1995-02-23 — — WO disclosed
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