SCHEMBL16634547

SCHEMBL16634547

CC1(COc2ccc(Nc3ccc(C(=O)O)cc3F)c([N+](=O)[O-])c2)COC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.48
KMT2A Q03164 5/20 0.48
AKR1C3 P42330 4/20 0.48
AKR1C2 P52895 4/20 0.48
MEN1 O00255 4/20 0.48
HPGD P15428 3/20 0.48
AKR1B10 O60218 1/20 0.46
AKR1B1 P15121 1/20 0.46
AKR1C4 P17516 1/20 0.46
AKR1C1 Q04828 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 1/20 0.44
HCAR3 P49019 4/20 0.43

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 1.00 MAPT (0.48) MAPTKMT2AAKR1C3AKR1C2MEN1
SCHEMBL16634654 0.84 GAA (0.44) MAPTKMT2AMEN1HPGDGAA
SCHEMBL376065 0.73 MAPT (0.48) MAPTKMT2AMEN1HPGDLMNA
SCHEMBL29450847 0.73 MAPT (0.48) MAPTKMT2AMEN1HPGDLMNA
SCHEMBL16634569 0.73 KMT2A (0.57) MAPTKMT2AMEN1HPGDLMNA
SCHEMBL16634572 0.73 KMT2A (0.57) MAPTKMT2AMEN1HPGDLMNA
SCHEMBL5095969 0.73 ACACB (0.50) SMN1; SMN2POLB
SCHEMBL16634746 0.73 MAPT (0.51) MAPTKMT2AAKR1C3AKR1C2MEN1
SCHEMBL16634785 0.73 MAPT (0.38) MAPTKMT2AMEN1HPGDLMNA
SCHEMBL16634858 0.72 HCAR3 (0.63) MAPTKMT2AAKR1C3AKR1C2MEN1

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