SCHEMBL7841732

SCHEMBL7841732

CN[C@@H]1C=CC[C@@H]2CN(c3nc(C)c4c(=O)c(OC(=O)O)cn(C5CC5)c4c3Cl)C[C@@H]21

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ POLB P06746 1/20 0.30
▸ CHRM2 P08172 1/20 0.30
▸ CHRM1 P11229 1/20 0.30
▸ OPRM1 P35372 1/20 0.30
▸ OPRD1 P41143 1/20 0.30
▸ TOP2A P11388 1/20 0.30
▸ TOP2B Q02880 1/20 0.30

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
SCHEMBL7851879 0.90 — —
SCHEMBL7851977 0.89 ALDH1A1 (0.33) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL7841731 0.89 MEN1 (0.40) ALDH1A1KDM4ELMNAHPGDPOLB
SCHEMBL7849362 0.89 MEN1 (0.40) ALDH1A1KDM4ELMNAHPGDPOLB
SCHEMBL7851421 0.87 ALDH1A1 (0.32) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL9694117 0.84 MEN1 (0.36) ALDH1A1KDM4ELMNAHPGDPOLB
SCHEMBL7848981 0.81 TOP2A (0.33) ALDH1A1KDM4ELMNAHPGDPOLB
SCHEMBL9694860 0.80 MEN1 (0.48) ALDH1A1KDM4ELMNAHPGDPOLB
SCHEMBL9692946 0.80 ALDH1A1 (0.49) ALDH1A1KDM4ELMNAHPGDPOLB
SCHEMBL7849214 0.79 POLB (0.33) ALDH1A1KDM4EHPGDPOLBCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0726270-B1 Derivatives of 1,6-naphthyridone carboxylic acids BAYER AG (DE) 2001-05-23 — — EP claimed
EP-0726270-A1 Derivatives of 1,6-naphthyridine carboxylic acids BAYER AG (DE) 1996-08-14 — — EP claimed
EP-0726270-B1 Derivatives of 1,6-naphthyridone carboxylic acids BAYER AG (DE) 2001-05-23 — — EP disclosed
EP-0726270-A1 Derivatives of 1,6-naphthyridine carboxylic acids BAYER AG (DE) 1996-08-14 — — EP disclosed
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