SCHEMBL9686951

SCHEMBL9686951

O=C(O)c1cn(C2CC2)c2nc(N3CCNCC3)c(Cl)cc2c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.54
▸ ALDH1A1 P00352 5/20 0.54
▸ LMNA P02545 4/20 0.54
▸ HSD17B10 Q99714 4/20 0.54
▸ HPGD P15428 3/20 0.54
▸ CYP2C9 P11712 2/20 0.54
▸ TOP2A P11388 2/20 0.54
▸ TOP2B Q02880 2/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ ATP6V1B2 P21281 1/20 0.52
▸ TBXA2R P21731 1/20 0.52
▸ EDNRA P25101 1/20 0.52
▸ TARBP2 Q15633 1/20 0.52
▸ DPP4 P27487 6/20 0.51
▸ CHRM2 P08172 2/20 0.45
▸ DRD1 P21728 1/20 0.45
▸ DHFR P00374 1/20 0.43
▸ ABCC4 O15439 1/20 0.42
▸ POLB P06746 2/20 0.41
▸ OPRM1 P35372 2/20 0.41

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
SCHEMBL311935 0.88 LMNA (0.68) KDM4EALDH1A1LMNAHSD17B10HPGD
SCHEMBL9687767 0.88 DPP4 (0.51) KDM4EALDH1A1LMNAHSD17B10HPGD
SCHEMBL9686854 0.87 KDM4E (0.54) KDM4EALDH1A1LMNAHSD17B10HPGD
SCHEMBL9686958 0.87 LMNA (0.41) KDM4EALDH1A1LMNAHSD17B10HPGD
Hydrochloric Acid SCHEMBL10551772 0.87 DPP4 (0.51) KDM4EALDH1A1LMNAHSD17B10HPGD
SCHEMBL9686526 0.85 LMNA (0.56) KDM4EALDH1A1LMNAHSD17B10HPGD
SCHEMBL11020192 0.84 LMNA (0.64) KDM4EALDH1A1LMNAHSD17B10HPGD
SCHEMBL9687524 0.84 LMNA (0.51) KDM4EALDH1A1LMNAHSD17B10HPGD
SCHEMBL9687439 0.83 DPP4 (0.54) KDM4EALDH1A1LMNAHSD17B10HPGD
SCHEMBL10873721 0.82 DPP4 (0.51) KDM4EALDH1A1LMNAHSD17B10HPGD

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1003236-B Preparation method of 6, 7-disubstituted-1-cyclopropyl-1, 4-dihydro-4-oxo-1, 8-naphthyridine-3-carboxylic acid 拜尔公司 1989-02-08 — — CN claimed
EP-0187376-A2 6,7-Disubstituted 1-cyclopropyl-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acids BAYER AG (DE) 1986-07-16 — — EP claimed
EP-0187376-B1 6,7-DISUBSTITUTED 1-CYCLOPROPYL-1,4-DIHYDRO-4-OXO-1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACIDS BAYER AG (DE) 1992-05-13 — — EP disclosed
US-4840954-A BACTERICIDE BAYER AKTIENGESELLSCHAFT (DE) 1989-06-20 — — US disclosed
EP-0187376-A2 6,7-Disubstituted 1-cyclopropyl-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acids BAYER AG (DE) 1986-07-16 — — EP disclosed
CN-86100126-A 6, the two replacement-1-cyclopropyl of 7--1,4 dihydro-4-oxo-1, the preparation method and the application thereof of 8-naphthyridines-3-carboxylic acid — 1986-07-09 — — CN disclosed
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