SCHEMBL9147862

SCHEMBL9147862

CC1C(N)CN1c1nc2c(cc1F)c(=O)c(C(=O)O)cn2CCF

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.52
▸ CYP2C9 P11712 2/20 0.52
▸ 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 0.48
▸ EPHA2 P29317 1/20 0.46
▸ FLT4 P35916 1/20 0.46
▸ GSK3B P49841 1/20 0.46
▸ RARB P10826 1/20 0.46
▸ TBXAS1 P24557 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46
▸ KDM4E B2RXH2 5/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ CHRM2 P08172 1/20 0.44
▸ DRD1 P21728 1/20 0.44
▸ HSD17B10 Q99714 4/20 0.44
▸ HPGD P15428 3/20 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
SCHEMBL9147858 1.00 LMNA (0.52) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9148662 0.91 LMNA (0.62) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9148668 0.91 LMNA (0.62) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9215206 0.88 LMNA (0.41) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9144116 0.83 DPP4 (0.47) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9146376 0.83 DPP4 (0.65) LMNADPP4EPHA2FLT4GSK3B
SCHEMBL9146813 0.83 DPP4 (0.65) LMNADPP4EPHA2FLT4GSK3B
SCHEMBL9146820 0.83 DPP4 (0.65) LMNADPP4EPHA2FLT4GSK3B
SCHEMBL9144124 0.83 DPP4 (0.47) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9147443 0.81 EPHA2 (0.57) 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-0388298-B1 Derivatives of pyridone carboxylic acids substituted by an azetidine, their preparation and their use as medicines ESTEVE LABOR DR (ES) 1995-06-21 — — EP claimed
US-5393758-A Bactericides, microbiocides LABORATORIOS DEL DR. ESTEVE S.A. (ES) 1995-02-28 — — US claimed
US-5393758-A Bactericides, microbiocides LABORATORIOS DEL DR. ESTEVE S.A. (ES) 1995-02-28 — — US disclosed
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