SCHEMBL16634654

SCHEMBL16634654

CC1(COc2ccc(Nc3ccc(C(=O)O)cc3F)c(N)c2)COC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.44
KDM4E B2RXH2 6/20 0.43
GFER P55789 4/20 0.43
HSD17B10 Q99714 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 5/20 0.42
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 1/20 0.42
NPC1 O15118 2/20 0.40
THRB P10828 3/20 0.40
HPGD P15428 3/20 0.40
CYP26A1 O43174 1/20 0.40
CYP3A4 P08684 1/20 0.40
RARB P10826 1/20 0.40
RARG P13631 1/20 0.40
GLA P06280 1/20 0.40
RCE1 Q9Y256 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL16634544 0.84 MAPT (0.48) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL16634547 0.84 MAPT (0.48) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL5095969 0.76 ACACB (0.50) HSD17B10SMN1; SMN2RAB9ANPC1CYP26A1
SCHEMBL16634719 0.72 AURKA (0.37) KDM4EHSD17B10MEN1KMT2AALDH1A1
SCHEMBL15262867 0.71 PLA2G2A (0.43) MEN1KMT2ACYP26A1CYP3A4CACNA1H
SCHEMBL6304640 0.70 PARP10 (0.54) KMT2AALDH1A1ACACB
SCHEMBL16634655 0.70 GAA (0.59) GAAKDM4EGFERHSD17B10MEN1
SCHEMBL376772 0.68 BACE1 (0.39) RAB9ANPC1CACNA1H
SCHEMBL25256213 0.67 FLT3 (0.41) KDM4EKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL12353208 0.67 TP53 (0.54) MEN1KMT2ARARBHTT

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-2015052675-A1 SUBSTITUTED DIHYDRO-BENZIMIDAZOLE COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2015-04-16 WO disclosed