SCHEMBL191226

SCHEMBL191226

Cc1csc(Nc2cc(OC3CCCCC3C)ccn2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.43
GRM5 P41594 3/20 0.39
RAB9A P51151 9/20 0.38
MEN1 O00255 8/20 0.38
KMT2A Q03164 8/20 0.38
NPC1 O15118 8/20 0.38
CASP3 P42574 2/20 0.38
SENP8 Q96LD8 2/20 0.38
SENP7 Q9BQF6 2/20 0.38
SENP6 Q9GZR1 2/20 0.38
KCNN1 Q92952 1/20 0.38
KCNN2 Q9H2S1 1/20 0.38
KCNN3 Q9UGI6 1/20 0.38
GCK P35557 1/20 0.37
SLC2A1 P11166 1/20 0.37
POLB P06746 2/20 0.36
GAA P10253 2/20 0.36
NR2F2 P24468 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL191227 1.00 TRPV4 (0.43) TRPV4GRM5RAB9AMEN1KMT2A
SCHEMBL190625 0.86 GRM5 (0.51) TRPV4GRM5RAB9AMEN1KMT2A
SCHEMBL192005 0.80 TRPV4 (0.47) TRPV4GRM5RAB9AMEN1KMT2A
SCHEMBL192164 0.79 ROCK1 (0.48) TRPV4GRM5NR2F2
SCHEMBL2658979 0.76 TRPV4 (0.40) TRPV4GRM5RAB9AMEN1KMT2A
SCHEMBL191290 0.76 TRPV4 (0.39) TRPV4RAB9AMEN1KMT2ANPC1
SCHEMBL191004 0.75 GRM5 (0.43) TRPV4GRM5RAB9AGAASMN1; SMN2
SCHEMBL190059 0.74 CHEK2 (0.46) GRM5SMN1; SMN2
SCHEMBL190612 0.74 GPR119 (0.44)
SCHEMBL190659 0.73 GCK (0.59) TRPV4GRM5RAB9AMEN1KMT2A

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