SCHEMBL8389880

SCHEMBL8389880

O=C(O)c1cc(I)cc(C(F)(F)F)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ASPH Q12797 1/20 0.42
▸ NOTUM Q6P988 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MAP2K1 Q02750 2/20 0.35
▸ MAP2K2 P36507 1/20 0.35
▸ CES2 O00748 2/20 0.34
▸ CFTR P13569 2/20 0.34
▸ PTPRC P08575 1/20 0.34
▸ PTPN2 P17706 1/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ PTPRA P18433 1/20 0.34
▸ PTPRB P23467 1/20 0.34
▸ PTPRE P23469 1/20 0.34
▸ PTPN6 P29350 1/20 0.34
▸ TAS2R14 Q9NYV8 3/20 0.33
▸ GRIK1 P39086 1/20 0.33
▸ AKR1C3 P42330 1/20 0.33

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
SCHEMBL16122323 0.82 PTPRC (0.41) ASPHKDM4EALDH1A1MAP2K1MAP2K2
SCHEMBL20680394 0.80 KDM4E (0.42) ASPHNOTUMKDM4EALDH1A1HPGD
SCHEMBL22821086 0.80 NOTUM (0.42) ASPHNOTUMKDM4EALDH1A1HPGD
SCHEMBL2387492 0.79 ASPH (0.46) ASPHNOTUMKDM4EALDH1A1HPGD
SCHEMBL25111974 0.78 EPRS1 (0.46) ASPHNOTUMKDM4EALDH1A1HPGD
SCHEMBL29334051 0.78 ASPH (0.42) ASPHNOTUMKDM4EALDH1A1HPGD
SCHEMBL24566862 0.78 KDM4E (0.43) ASPHNOTUMKDM4EALDH1A1HPGD
SCHEMBL30483541 0.78 EPRS1 (0.46) ASPHNOTUMKDM4EALDH1A1HPGD
SCHEMBL695647 0.77 CES2 (0.48) ASPHNOTUMKDM4EALDH1A1HPGD
SCHEMBL1044811 0.76 MAP2K1 (0.45) ASPHKDM4EMAP2K1MAP2K2CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1064954-C Orthosubstituted benzoylguanidine, preparation of same, pharmaceutical containing same and application of same HOECHST AG (DE) 2001-04-25 — — CN disclosed
US-5965744-A ANTIARRHYTHMIC AGENT; TREATING OR PREVENTING INFARCTION, ANGINA PECTORIS; ANTIISCHEMIC AGENTS; SIDE EFFECT REDUCTION; ANTISHOCK AGENTS; ANTIALLERGENS HOESCHST AKTIENGESELLSCHAFT (DE) 1999-10-12 — — US disclosed
EP-0640588-B1 Orthosubstituted benzoylguanidines, process for their preparation, their use as a medicament or diagnostic agent and a medicament containing them HOECHST AG (DE) 1999-09-08 — — EP disclosed
CN-1106381-A Orthosubstituted benzoylguanidine, preparation of same, pharmaceutical containing same and application of same HOECHST AG (DE) 1995-08-09 — — CN disclosed
EP-0640588-A1 Orthosubstituted benzoylguanidines, process for their preparation, their use as a medicament or diagnostic agent and a medicament containing them HOECHST AKTIENGESELLSCHAFT (DE) 1995-03-01 — — EP disclosed
Send feedback