SCHEMBL28098669

SCHEMBL28098669

CCOC(=O)Cl.NNc1ccc(C(=O)O)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 6/20 0.43
GAA P10253 6/20 0.43
GFER P55789 3/20 0.43
HPGD P15428 3/20 0.43
HTT P42858 2/20 0.43
THRB P10828 2/20 0.43
PLEC Q15149 1/20 0.43
LMNA P02545 3/20 0.42
RAB9A P51151 2/20 0.42
MAPK1 P28482 2/20 0.42
HSD17B10 Q99714 3/20 0.39
PTGER4 P35408 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
MYC P01106 1/20 0.38
MAX P61244 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
SCHEMBL27410033 0.90 ALDH1A1 (0.49) MAPTALDH1A1KDM4EGAAGFER
SCHEMBL25791893 0.82 CA1 (0.51) MAPTALDH1A1KDM4EGAALMNA
Hydrochloric Acid SCHEMBL16797134 0.81 PTGER4 (0.50) MAPTALDH1A1KDM4EGAALMNA
SCHEMBL27443326 0.78 CYP1A2 (0.39) MAPTALDH1A1KDM4EGAAHPGD
SCHEMBL27646023 0.77 SMN1; SMN2 (0.44) MAPTALDH1A1KDM4EGAAHPGD
Hydrochloric Acid SCHEMBL28098668 0.76 PTGER4 (0.41) MAPTALDH1A1KDM4EGAALMNA
SCHEMBL28210773 0.76 NPC1 (0.49) MAPTALDH1A1KDM4ERAB9AMEN1
SCHEMBL28242784 0.75 BCL2L1 (0.53) MAPTALDH1A1KDM4EGAALMNA
Hydrochloric Acid SCHEMBL27480011 0.75 NPC1 (0.48) ALDH1A1KDM4ERAB9AMEN1KMT2A
SCHEMBL27734209 0.73 KDM4E (0.51) MAPTALDH1A1KDM4EGAAHPGD

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
CN-105980364-A Bicyclic heteroaryl indole analogs useful as ROR γ modulators 格兰马克药品股份有限公司 2016-09-28 CN disclosed