SCHEMBL4591807

SCHEMBL4591807

CCCCCSc1ccnc2cc(C(F)(F)F)ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAC1 P63000 3/20 0.52
RAC2 P15153 1/20 0.49
RAC3 P60763 1/20 0.49
ADRB2 P07550 1/20 0.41
NCF1 P14598 1/20 0.41
GAK O14976 1/20 0.40
PARP1 P09874 1/20 0.38
AAK1 Q2M2I8 3/20 0.37
PRNP P04156 2/20 0.37
RXFP1 Q9HBX9 2/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
GRM4 Q14833 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
GPR84 Q9NQS5 1/20 0.36
PRKD3 O94806 2/20 0.36
MAP4K4 O95819 2/20 0.36
KDR P35968 2/20 0.36
GSK3A P49840 2/20 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
SCHEMBL20683281 0.99 RAC1 (0.54) RAC1RAC2RAC3ADRB2NCF1
SCHEMBL4151251 0.87 RAC1 (0.52) RAC1RAC2RAC3ADRB2NCF1
SCHEMBL31121063 0.86 RAC1 (0.54) RAC1RAC2RAC3ADRB2NCF1
SCHEMBL20678119 0.86 RAC1 (0.54) RAC1RAC2RAC3ADRB2NCF1
SCHEMBL25405308 0.86 RAC1 (0.54) RAC1RAC2RAC3ADRB2NCF1
SCHEMBL25402058 0.86 RAC1 (0.54) RAC1RAC2RAC3ADRB2NCF1
SCHEMBL20678041 0.86 RAC1 (0.54) RAC1RAC2RAC3ADRB2NCF1
SCHEMBL4146513 0.86 RAC1 (0.54) RAC1RAC2RAC3ADRB2NCF1
SCHEMBL31121075 0.86 RAC1 (0.54) RAC1RAC2RAC3ADRB2NCF1
SCHEMBL4167757 0.86 RAC1 (0.54) RAC1RAC2RAC3ADRB2NCF1

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-1910334-A2 COMPOUNDS AND METHODS FOR TREATMENT OF AMYLOID-BETA-PEPTIDE RELATED DISORDERS Exonhit Therapeutics SA (FR) 2008-04-16 EP disclosed
WO-2007034329-A2 COMPOUNDS AND METHODS FOR TREATMENT OF AMYLOID-BETA-PEPTIDE RELATED DISORDERS EXONHIT THERAPEUTICS SA (FR) 2007-03-29 WO disclosed