SCHEMBL6231791

SCHEMBL6231791

NC(=S)N(CCc1ccccc1F)c1ccc(Br)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.40
GBA1 P04062 8/20 0.40
SSTR2 P30874 4/20 0.40
SSTR4 P31391 4/20 0.40
TAAR1 Q96RJ0 2/20 0.39
RAD52 P43351 1/20 0.34
NR3C2 P08235 1/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PKM P14618 1/20 0.33
MAOB P27338 1/20 0.33
PARP15 Q460N3 1/20 0.33
PARP14 Q460N5 1/20 0.33
PARP10 Q53GL7 1/20 0.33
HPGD P15428 1/20 0.32
PPARG P37231 1/20 0.32
NCOA2 Q15596 1/20 0.32
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32

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
SCHEMBL5888042 0.82 GBA1 (0.49) AOC3GBA1SSTR2SSTR4RAD52
SCHEMBL18584256 0.78 ALDH1A1 (0.37) GBA1SSTR2SSTR4RAD52PKM
SCHEMBL4086856 0.77 GBA1 (0.44) GBA1SSTR2SSTR4RAD52NPC1
SCHEMBL3177206 0.76 SMN1; SMN2 (0.44) GBA1SSTR2SSTR4TAAR1RAD52
SCHEMBL27364804 0.72 KDM4E (0.43) AOC3TAAR1NR3C2NPC1RAB9A
SCHEMBL6351298 0.68 ALDH1A1 (0.42) NPC1RAB9ASMN1; SMN2PKMHPGD
SCHEMBL27361572 0.68 RAB9A (0.44) AOC3TAAR1NPC1RAB9ASMN1; SMN2
SCHEMBL27359799 0.68 KMT2A (0.42) AOC3TAAR1RAD52NPC1RAB9A
SCHEMBL29624176 0.66 ALDH1A1 (0.70) NPC1RAB9ASMN1; SMN2PKM
SCHEMBL5390696 0.66 ALDH1A1 (0.70) NPC1RAB9ASMN1; SMN2PKM

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
EP-1528057-A1 Nonnucleoside inhibitors of reverse transcriptase for the treatment of HIV infection Parker Hughes Institute (US) 2005-05-04 EP disclosed