SCHEMBL17119708

SCHEMBL17119708

O=C(c1ccc(I)cc1F)C(F)(F)c1ccc(Br)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.37
▸ PPARD Q03181 1/20 0.35
▸ GPR27 Q9NS67 2/20 0.35
▸ FLT1 P17948 1/20 0.33
▸ FLT4 P35916 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAP2K1 Q02750 3/20 0.32
▸ MAP2K2 P36507 2/20 0.32
▸ DGAT2 Q96PD7 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ MAPT P10636 1/20 0.31

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
SCHEMBL30352878 0.87 CES2 (0.42) DGAT1PPARDFLT1FLT4KDR
SCHEMBL2554655 0.87 CES2 (0.42) DGAT1PPARDFLT1FLT4KDR
SCHEMBL18661269 0.82 CES2 (0.42) GPR27ALDH1A1KDM4EL3MBTL1NPC1
SCHEMBL20640043 0.81 KAT6A (0.43) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL30270028 0.81 KAT6A (0.43) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL20639833 0.79 CES2 (0.42) DGAT1PPARDALDH1A1KDM4EDGAT2
SCHEMBL14405776 0.74 CES2 (0.41) DGAT1PPARDALDH1A1KDM4EL3MBTL1
SCHEMBL20639929 0.72 GRM5 (0.40) ALDH1A1KDM4EATML3MBTL1NPC1
SCHEMBL20639969 0.71 CES2 (0.42) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL14332118 0.71 CYP3A4 (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA

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-2015143184-A1 ANTIFUNGAL COMPOUND PROCESS VIAMET PHARMACEUTICALS, INC. (US) 2015-09-24 — — WO disclosed
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