SCHEMBL7136606

SCHEMBL7136606

CCOc1ccc(C=C2C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(C(F)(F)F)cc4)cc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAT2 Q10469 5/20 0.55
MOGAT2 Q3SYC2 1/20 0.54
POLB P06746 1/20 0.47
AR P10275 1/20 0.47
PSEN1 P49768 3/20 0.46
PSEN2 P49810 3/20 0.46
APH1B Q8WW43 3/20 0.46
NCSTN Q92542 3/20 0.46
APH1A Q96BI3 3/20 0.46
PSENEN Q9NZ42 3/20 0.46
FLT3 P36888 1/20 0.46
MGAT1 P26572 2/20 0.45
LRRK2 Q5S007 1/20 0.45
TSHR P16473 1/20 0.45
MGAT3 Q09327 1/20 0.45
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PRKDC P78527 1/20 0.44
CACNA1H O95180 1/20 0.44
CACNA1B Q00975 1/20 0.44

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
SCHEMBL7136258 0.93 MGAT2 (0.54) MGAT2MOGAT2ARPSEN1PSEN2
SCHEMBL7136121 0.93 MGAT2 (0.54) MGAT2MOGAT2ARPSEN1PSEN2
SCHEMBL5369913 0.90 MOGAT2 (0.56) MGAT2MOGAT2MGAT1
SCHEMBL5358368 0.90 MOGAT2 (0.61) MGAT2MOGAT2LRRK2MAPT
SCHEMBL7139382 0.89 AR (0.64) MGAT2MOGAT2ARPSEN1PSEN2
SCHEMBL7137560 0.88 CACNA1B (0.61) MGAT2MOGAT2ARPSEN1PSEN2
SCHEMBL5376985 0.88 MGAT2 (0.51) MGAT2MOGAT2PSEN1PSEN2APH1B
SCHEMBL5361498 0.88 MEN1 (0.53) MGAT2MOGAT2PSEN1PSEN2APH1B
SCHEMBL5361465 0.87 MOGAT2 (0.59) MGAT2MOGAT2LRRK2MAPTPRKDC
SCHEMBL7133915 0.87 PGR (0.54) MGAT2MOGAT2ARLRRK2PRKDC

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
US-6506763-B2 Useful in prevention and treatment of protein kinase related disorders such as cancer SUGEN, INC. 2003-01-14 US disclosed