SCHEMBL12068693

SCHEMBL12068693

O=C(NCc1cccs1)c1nc(O)c2cc(C3C=COC3)cc(C(F)(F)F)c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 1/20 0.38
▸ RAB9A P51151 4/20 0.37
▸ HPGD P15428 4/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ PSMD14 O00487 1/20 0.36
▸ STAMBP O95630 1/20 0.36
▸ COPS5 Q92905 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ TRPA1 O75762 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CPT1A P50416 1/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ TSHR P16473 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ TP53 P04637 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
SCHEMBL12068101 0.84 RAB9A (0.40) PTGESRAB9AHPGDKDM4EMEN1
SCHEMBL12068100 0.83 KDM4E (0.44) PTGESRAB9AHPGDKDM4EMEN1
SCHEMBL10215341 0.81 MAPT (0.46) PTGESRAB9AHPGDKDM4EMEN1
SCHEMBL10216323 0.80 LMNA (0.48) PTGESRAB9AHPGDKDM4EMEN1
SCHEMBL10216326 0.77 LMNA (0.40) PTGESRAB9AHPGDKDM4EMEN1
SCHEMBL10216327 0.76 ROCK2 (0.42) PTGESRAB9AHPGDKDM4EMEN1
SCHEMBL10215639 0.70 LMNA (0.47) PTGESRAB9AHPGDKDM4EMEN1
SCHEMBL10215346 0.70 RAB9A (0.48) PTGESRAB9AHPGDKDM4EMEN1
SCHEMBL10216328 0.69 LMNA (0.46) PTGESRAB9AHPGDKDM4EALDH1A1
SCHEMBL10216329 0.68 LMNA (0.43) PTGESRAB9AHPGDKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011156610-A2 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. (US) 2011-12-15 — — WO disclosed
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