SCHEMBL11396248

SCHEMBL11396248

Cc1ccc(OC(Br)C(=O)C(C)(C)CCl)cc1C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 1/20 0.36
ATM Q13315 1/20 0.36
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HSP90AA1 P07900 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
SCHEMBL11385634 0.86 HPGD (0.40) TDP1L3MBTL1ALDH1A1MAPTHPGD
SCHEMBL11397830 0.85 PPARA (0.40) L3MBTL1ALDH1A1MAPTHPGDMEN1
SCHEMBL11386768 0.84 GSK3B (0.34) MEN1KMT2A
SCHEMBL11388075 0.82 TAS1R3 (0.41) SMN1; SMN2TDP1L3MBTL1ALDH1A1RAB9A
SCHEMBL11398848 0.82 LDHA (0.44) SMN1; SMN2TDP1L3MBTL1ALDH1A1MAPT
SCHEMBL11292911 0.82 PPARA (0.41) MAPTMEN1KMT2A
SCHEMBL11536451 0.82 SMN1; SMN2 (0.43) SMN1; SMN2TDP1L3MBTL1NPC1ATM
SCHEMBL11355923 0.81 ALDH1A1 (0.41) SMN1; SMN2L3MBTL1ALDH1A1MAPTMEN1
SCHEMBL11399678 0.81 NPC1 (0.33) SMN1; SMN2TDP1NPC1ALDH1A1MAPT
SCHEMBL11214408 0.81 MTNR1A (0.39) L3MBTL1ALDH1A1ATMMEN1KMT2A

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
US-4255434-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1981-03-10 US disclosed