SCHEMBL7136121

SCHEMBL7136121

CCCOc1ccc(C=C2C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(C(F)(F)F)cc4)cc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGAT2 Q10469 5/20 0.54
MOGAT2 Q3SYC2 1/20 0.52
PSEN1 P49768 5/20 0.49
PSEN2 P49810 5/20 0.49
APH1B Q8WW43 5/20 0.49
NCSTN Q92542 5/20 0.49
APH1A Q96BI3 5/20 0.49
PSENEN Q9NZ42 5/20 0.49
FLT3 P36888 2/20 0.49
LRRK2 Q5S007 2/20 0.48
CACNA1H O95180 1/20 0.47
CACNA1B Q00975 1/20 0.47
AR P10275 1/20 0.46
MDM2 Q00987 1/20 0.45
MGAT1 P26572 2/20 0.44
MGAT3 Q09327 1/20 0.44
PRKDC P78527 1/20 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
SCHEMBL7136258 0.97 MGAT2 (0.54) MGAT2MOGAT2PSEN1PSEN2APH1B
SCHEMBL7136606 0.93 MGAT2 (0.55) MGAT2MOGAT2PSEN1PSEN2APH1B
SCHEMBL7137560 0.90 CACNA1B (0.61) MGAT2MOGAT2PSEN1PSEN2APH1B
SCHEMBL5369913 0.89 MOGAT2 (0.56) MGAT2MOGAT2MGAT1
SCHEMBL5358368 0.88 MOGAT2 (0.61) MGAT2MOGAT2LRRK2
SCHEMBL7139382 0.87 AR (0.64) MGAT2MOGAT2PSEN1PSEN2APH1B
SCHEMBL5361465 0.86 MOGAT2 (0.59) MGAT2MOGAT2LRRK2PRKDC
SCHEMBL7133915 0.85 PGR (0.54) MGAT2MOGAT2LRRK2ARPRKDC
SCHEMBL5370221 0.85 MOGAT2 (0.57) MGAT2MOGAT2
SCHEMBL5365870 0.84 RET (0.56) MGAT2MOGAT2LRRK2PRKDC

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