SCHEMBL190691

SCHEMBL190691

Cc1csc(Nc2cc(Sc3ccoc3C)ccn2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.43
NPC1 O15118 10/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 9/20 0.40
MEN1 O00255 8/20 0.40
CASP3 P42574 2/20 0.40
SENP8 Q96LD8 2/20 0.40
SENP7 Q9BQF6 2/20 0.40
SENP6 Q9GZR1 2/20 0.40
KCNN1 Q92952 1/20 0.40
KCNN2 Q9H2S1 1/20 0.40
KCNN3 Q9UGI6 1/20 0.40
SLC2A1 P11166 1/20 0.40
GAA P10253 4/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 2/20 0.38
NR2F2 P24468 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
SCHEMBL190235 0.83 RAB9A (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL190790 0.81 GCK (0.54) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL190565 0.81 RAB9A (0.46) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL190694 0.80 GCK (0.54) RAB9ANPC1ALDH1A1HPGDKMT2A
SCHEMBL190666 0.80 CCR4 (0.54) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL190878 0.79 KMT2A (0.42) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL12305655 0.79 KMT2A (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL190468 0.79 RAB9A (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL191223 0.78 KMT2A (0.43) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL190782 0.78 KMT2A (0.56) RAB9ANPC1KMT2AMEN1CASP3

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
EP-1986645-B1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC (US) 2012-01-04 EP disclosed