SCHEMBL8764873

SCHEMBL8764873

CCCCc1ccc(C(F)(F)F)cc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
ATM Q13315 1/20 0.43
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CFTR P13569 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
RAB9A P51151 1/20 0.40
TYR P14679 1/20 0.40
IDO1 P14902 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
SKP2 Q13309 1/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL13202273 0.84 TAAR1 (0.44) L3MBTL1MAPTLMNAATMALDH1A1
SCHEMBL14367955 0.83 ALDH1A1 (0.52) L3MBTL1MAPTLMNAATMALDH1A1
SCHEMBL15731295 0.82 CFTR (0.44) L3MBTL1MAPTLMNAATMALDH1A1
SCHEMBL19304136 0.81 IDO1 (0.51) MAPTSLC6A2SLC6A4SLC6A3TYR
SCHEMBL9797614 0.79 TYR (0.61) MAPTLMNAHPGDRAB9ATYR
SCHEMBL27617336 0.79 CFTR (0.41) L3MBTL1MAPTLMNAATMALDH1A1
SCHEMBL6479994 0.79 ALDH1A1 (0.47) L3MBTL1MAPTLMNAATMALDH1A1
SCHEMBL2969068 0.78 SLC6A4 (0.51) L3MBTL1MAPTLMNAATMALDH1A1
SCHEMBL10198680 0.78 DAO (0.40) L3MBTL1LMNATYRIDO1MEN1
SCHEMBL12601634 0.77 IDO1 (0.51) L3MBTL1LMNATYRIDO1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0785943-A1 SYNTHESIS OF 6-AZAANDROSTENONES GLAXO WELLCOME INC. (US) 1997-07-30 EP disclosed
WO-1996011939-A1 SYNTHESIS OF 6-AZAANDROSTENONES GLAXO WELLCOME INC. (US) 1996-04-25 WO disclosed