SCHEMBL5370123

SCHEMBL5370123

Cc1ccsc1C=C1C(=O)Nc2ccc(N(C(C)O)C(C)O)cc21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
MAPT P10636 4/20 0.44
KMT2A Q03164 4/20 0.44
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 1/20 0.44
JAK3 P52333 2/20 0.42
APP P05067 2/20 0.42
SNCA P37840 1/20 0.42
KDR P35968 2/20 0.42
PDPK1 O15530 4/20 0.40
LRRK2 Q5S007 1/20 0.40
RET P07949 3/20 0.39
PDGFRB P09619 2/20 0.39
HCRTR1 O43613 1/20 0.39
LMNA P02545 1/20 0.39
TLK2 Q86UE8 1/20 0.38
EGFR P00533 1/20 0.38
ERBB2 P04626 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
SCHEMBL5358662 0.79 KDR (0.66) MEN1MAPTKMT2ANPC1JAK3
SCHEMBL5367000 0.79 MAPT (0.43) MEN1MAPTKMT2AALDH1A1JAK3
SCHEMBL6297823 0.78 LRRK2 (0.60) LRRK2RETPDGFRBEGFRERBB2
SCHEMBL6297819 0.78 LRRK2 (0.60) LRRK2RETPDGFRBEGFRERBB2
SCHEMBL5358278 0.77 MEN1 (0.46) MEN1MAPTKMT2ANPC1ALDH1A1
SCHEMBL5363527 0.76 PDPK1 (0.65) JAK3KDRPDPK1LRRK2RET
SCHEMBL5359359 0.76 TLK2 (0.47) MEN1MAPTKMT2ANPC1ALDH1A1
SCHEMBL5361719 0.75 PDPK1 (0.58) KDRPDPK1PDGFRBEGFR
SCHEMBL5364110 0.75 PDPK1 (0.56) MEN1MAPTKMT2ANPC1ALDH1A1
SCHEMBL5727507 0.75 KDR (0.71) MEN1MAPTKMT2ANPC1ALDH1A1

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-7202265-B2 Indolinone combinatorial libraries and related products and methods for the treatment of disease SUGEN, INC. (US) 2007-04-10 US disclosed