SCHEMBL9046650

SCHEMBL9046650

CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC(N)CC3C)nc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.60
▸ CYP2C9 P11712 1/20 0.60
▸ ATP6V1B2 P21281 1/20 0.60
▸ TBXA2R P21731 1/20 0.60
▸ EDNRA P25101 1/20 0.60
▸ TARBP2 Q15633 1/20 0.60
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ ABCC4 O15439 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ EPHA2 P29317 1/20 0.45
▸ FLT4 P35916 1/20 0.45
▸ GSK3B P49841 1/20 0.45
▸ RARB P10826 1/20 0.45
▸ TBXAS1 P24557 1/20 0.45
▸ SLC6A3 Q01959 1/20 0.45
▸ KDM4E B2RXH2 4/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ HPGD P15428 4/20 0.44

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
SCHEMBL9820325 0.93 LMNA (0.53) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9148668 0.87 LMNA (0.62) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9148662 0.87 LMNA (0.62) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL10677290 0.85 LMNA (0.71) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9044640 0.85 DPP4 (0.60) LMNAKMT2AABCC4EPHA2FLT4
SCHEMBL9820330 0.85 KDM4E (0.45) LMNACYP2C9ATP6V1B2TBXA2REDNRA
Hydrochloric Acid SCHEMBL10655119 0.84 DPP4 (0.59) LMNAKMT2AABCC4EPHA2FLT4
SCHEMBL13483625 0.84 DPP4 (0.51) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9045050 0.83 KMT2A (0.56) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL10512615 0.83 KMT2A (0.56) LMNACYP2C9ATP6V1B2TBXA2REDNRA

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-0360258-B1 Amino acid quinoline and naphthyridine derivatives ABBOTT LAB (US) 1996-08-14 — — EP disclosed
US-5057523-A Water soluble bactericide ABBOTT LABORATORIES (US) 1991-10-15 — — US disclosed
EP-0360258-A2 Amino acid quinoline and naphthyridine derivatives ABBOTT LABORATORIES (US) 1990-03-28 — — EP disclosed
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