SCHEMBL27836738

SCHEMBL27836738

O=C(O)c1ccc(F)cc1-c1c(-c2ccc(Cl)cc2)cn2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.58
ALDH1A1 P00352 4/20 0.58
RAB9A P51151 2/20 0.58
NPC1 O15118 1/20 0.58
MAPT P10636 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
HPGD P15428 3/20 0.46
GAA P10253 2/20 0.43
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
PSD A5PKW4 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
ALDH1A2 O94788 1/20 0.39
ALDH1A3 P47895 1/20 0.39
FABP3 P05413 1/20 0.38
FABP4 P15090 1/20 0.38
ACLY P53396 1/20 0.38
METTL3 Q86U44 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
SCHEMBL29979920 0.78 ANO1 (0.49) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL23354242 0.78 ANO1 (0.49) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL3869652 0.74 KDM4E (1.00) KDM4EALDH1A1RAB9ANPC1MAPT
SCHEMBL28844229 0.71 DCLRE1B (0.43) KDM4EALDH1A1RAB9ANPC1MAPT
SCHEMBL10794588 0.70 DHODH (0.54) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL5024503 0.70 LTB4R2 (0.51) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL10362797 0.70 FNTA (0.53) KDM4EALDH1A1RAB9ANPC1MAPT
SCHEMBL6488777 0.69 ANO1 (0.52) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL496623 0.69 SLC6A4 (0.64) KDM4EALDH1A1RAB9ANPC1MAPT
SCHEMBL31676805 0.69 HSD17B10 (0.51) KDM4EALDH1A1KMT2AMEN1HPGD

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
CN-102105170-A Antifungal combination therapy F2G LTD 2011-06-22 CN claimed
CN-102105170-A Antifungal combination therapy F2G LTD 2011-06-22 CN disclosed