SCHEMBL8714624

SCHEMBL8714624

Nc1ccc(OS(=O)(=O)C(F)(F)F)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.43
▸ TSHR P16473 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ ALOX15 P16050 2/20 0.43
▸ THRB P10828 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ HSD11B1 P28845 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ADORA2A P29274 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ MRGPRX4 Q96LA9 1/20 0.37
▸ CA2 P00918 3/20 0.36
▸ CA1 P00915 2/20 0.36
▸ EPAS1 Q99814 2/20 0.36
▸ HTR1A P08908 1/20 0.35
▸ HTR1D P28221 1/20 0.35

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
SCHEMBL1411551 0.83 PTGS1 (0.46) TSHRHPGDCYP2C9MRGPRX4EPAS1
SCHEMBL27825202 0.81 EPAS1 (0.43) ALDH1A1HSD11B1EPAS1
SCHEMBL10930330 0.80 CYP3A4 (0.50) CYP3A4TSHRALDH1A1ALOX15THRB
SCHEMBL1411728 0.80 CA1 (0.46) ALDH1A1THRBHPGDCYP2C9CYP2C19
SCHEMBL12035594 0.80 EPAS1 (0.36) ADORA2AADORA1MRGPRX4CA2CA1
SCHEMBL31204254 0.80 CA1 (0.46) ALDH1A1THRBHPGDCYP2C9CYP2C19
SCHEMBL6139651 0.80 TSHR (0.41) TSHRALDH1A1HPGDRECQLHSD11B1
SCHEMBL8712804 0.80 GAA (0.47) TSHRALDH1A1HPGDCASP1HSD17B10
SCHEMBL27370416 0.80 CSNK2A1 (0.49) HPGDMRGPRX4CA2CA1HTR1A
SCHEMBL1786127 0.78 HSD11B1 (0.44) HSD11B1MRGPRX4EPAS1HTT

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-0750499-A4 CARBANILIDE ANTICOCCIDIALS LILLY CO ELI (US) 1998-02-04 — — EP disclosed
EP-0750499-A1 CARBANILIDE ANTICOCCIDIALS ELI LILLY AND COMPANY (US) 1997-01-02 — — EP disclosed
US-5541224-A ANIMAL FEEDS ELI LILLY AND COMPANY (US) 1996-07-30 — — US disclosed
WO-1995024900-A1 CARBANILIDE ANTICOCCIDIALS ELI LILLY AND COMPANY (US) 1995-09-21 — — WO disclosed
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