SCHEMBL190440

SCHEMBL190440

Cc1csc(Nc2cc(Sc3c(C)cccc3Cl)ccn2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 9/20 0.42
RAB9A P51151 8/20 0.42
MEN1 O00255 8/20 0.42
NPC1 O15118 6/20 0.42
CASP3 P42574 2/20 0.41
SENP8 Q96LD8 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
SENP6 Q9GZR1 2/20 0.41
KCNN1 Q92952 1/20 0.41
KCNN2 Q9H2S1 1/20 0.41
KCNN3 Q9UGI6 1/20 0.41
GAA P10253 4/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
SLC2A1 P11166 1/20 0.40
LCK P06239 4/20 0.40
GCK P35557 1/20 0.38
CCR4 P51679 1/20 0.38
SMARCA2 P51531 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
SCHEMBL190619 0.94 ALDH1A1 (0.47) ALDH1A1KMT2ARAB9AMEN1NPC1
SCHEMBL190492 0.92 RAB9A (0.44) ALDH1A1KMT2ARAB9AMEN1NPC1
SCHEMBL190878 0.85 KMT2A (0.42) ALDH1A1KMT2ARAB9AMEN1NPC1
SCHEMBL190565 0.85 RAB9A (0.46) ALDH1A1KMT2ARAB9AMEN1NPC1
SCHEMBL191303 0.83 KMT2A (0.45) ALDH1A1KMT2ARAB9AMEN1NPC1
SCHEMBL190971 0.83 KMT2A (0.46) ALDH1A1KMT2ARAB9AMEN1NPC1
SCHEMBL190235 0.82 RAB9A (0.47) ALDH1A1KMT2ARAB9AMEN1NPC1
SCHEMBL190400 0.80 RAB9A (0.55) ALDH1A1KMT2ARAB9AMEN1NPC1
SCHEMBL190920 0.80 ALDH1A1 (0.45) ALDH1A1KMT2ARAB9AMEN1NPC1
SCHEMBL190694 0.80 GCK (0.54) ALDH1A1KMT2ARAB9AMEN1NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1986645-B1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC (US) 2012-01-04 EP disclosed
CN-101437512-A Glucokinase activators ARRAY BIOPHARMA INC (US) 2009-05-20 CN disclosed