SCHEMBL19997263

SCHEMBL19997263

CCC(=O)c1cnn(-c2ccccc2C)c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.52
PKM P14618 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPK1 P28482 1/20 0.47
LMNA P02545 2/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
HPGD P15428 2/20 0.42
MAPT P10636 2/20 0.42
THRB P10828 1/20 0.42
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
NR4A3 Q92570 1/20 0.41
SLC9A1 P19634 2/20 0.41
SLC9A2 Q9UBY0 1/20 0.41
SCN9A Q15858 1/20 0.41
HSD11B1 P28845 1/20 0.40

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
SCHEMBL18356095 0.87 MAPK14 (0.51) MAPK14PKMSMN1; SMN2MEN1KMT2A
SCHEMBL7231347 0.83 MAPK1 (0.67) MAPK14PKMSMN1; SMN2MEN1KMT2A
SCHEMBL4771864 0.83 MAPK14 (0.59) MAPK14PKMSMN1; SMN2MEN1KMT2A
SCHEMBL18355731 0.83 MAPT (0.59) MAPK14SMN1; SMN2MAPK1NPC1RAB9A
SCHEMBL19902355 0.82 MAPK1 (0.69) PKMSMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL17321485 0.79 PKM (0.53) MAPK14PKMSMN1; SMN2MEN1KMT2A
SCHEMBL18933607 0.79 NOTUM (0.47) MAPK1SLC9A1
SCHEMBL20604094 0.75 NR4A3 (0.56) MAPK14PKMSMN1; SMN2MAPK1NPC1
SCHEMBL13506217 0.73 MAPK1 (0.50) PKMSMN1; SMN2MAPK1NPC1RAB9A
SCHEMBL13990279 0.73 KMT2A (0.48) MAPK14PKMSMN1; SMN2MEN1KMT2A

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-9926282-B2 Phthalazinones and isoquinolinones as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-27 US disclosed