SCHEMBL4551790

SCHEMBL4551790

Cc1ncc(NC(=O)c2cc(F)cc(N3CCCC3)c2)cc1C(=O)Nc1ccc(NCC2CCCO2)nc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.45
MAPK14 Q16539 5/20 0.42
SMO Q99835 1/20 0.42
CXCR2 P25025 1/20 0.41
TNK2 Q07912 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GRM5 P41594 1/20 0.40
CRHR1 P34998 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
LCK P06239 1/20 0.39
KDR P35968 1/20 0.39
TEK Q02763 1/20 0.39
CASP6 P55212 1/20 0.39

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
SCHEMBL4551562 0.99 HCAR3 (0.44) HCAR3MAPK14SMOCXCR2TNK2
SCHEMBL4565879 0.96 MAPK14 (0.47) HCAR3MAPK14TNK2
SCHEMBL5490598 0.89 CRHR1 (0.50) MAPK14SMOSMN1; SMN2TSHRHTT
SCHEMBL5490935 0.89 CRHR1 (0.45) MAPK14SMOCRHR1LCKKDR
SCHEMBL5489512 0.89 CRHR1 (0.49) MAPK14SMOSMN1; SMN2TSHRHTT
SCHEMBL14534448 0.88 HCAR3 (0.40) HCAR3MAPK14SMOCXCR2TNK2
SCHEMBL4551651 0.88 CRHR1 (0.45) MAPK14SMOSMN1; SMN2HTTCRHR1
SCHEMBL5488464 0.88 CRHR1 (0.47) MAPK14SMOSMN1; SMN2TSHRHTT
SCHEMBL5487267 0.88 CRHR1 (0.47) MAPK14SMOSMN1; SMN2TSHRHTT
SCHEMBL5484352 0.87 CSF1R (0.50) MAPK14TNK2LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035005-A2 THERAPY USING CYTOKINE INHIBITORS Kemia, INC. (US) 2009-03-18 EP disclosed
WO-2007146712-A2 THERAPY USING CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-12-21 WO disclosed
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed