SCHEMBL6174210

SCHEMBL6174210

COc1cccc(-c2ncccc2C(N)=O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.56
PARP1 P09874 3/20 0.54
CDC7 O00311 1/20 0.53
MAP4K2 Q12851 1/20 0.53
DYRK1A Q13627 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
RIPK2 O43353 1/20 0.50
DHODH Q02127 4/20 0.49
IKBKB O14920 2/20 0.48
MEN1 O00255 1/20 0.48
PKM P14618 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
PDE4B Q07343 1/20 0.47
CHEK2 O96017 1/20 0.47
KDM4E B2RXH2 2/20 0.47
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
RECQL P46063 1/20 0.47

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
SCHEMBL22160863 0.87 DHODH (0.59) DYRK1ACLK4DHODHMEN1PKM
SCHEMBL30832877 0.87 DHODH (0.59) DYRK1ACLK4DHODHMEN1PKM
SCHEMBL6174339 0.86 TTK (0.52) JAK2CLK4DHODHKDM4E
SCHEMBL6174664 0.83 KCNA5 (0.49) DYRK1ADHODHPDE4B
SCHEMBL16277176 0.82 KDM4E (0.58) JAK2DYRK1ACLK4DHODHMEN1
SCHEMBL18580116 0.81 TLR8 (0.51) JAK2PARP1CDC7MAP4K2RIPK2
SCHEMBL27940845 0.79 PARP1 (0.58) JAK2PARP1CDC7IKBKBPDE4B
SCHEMBL2991676 0.78 LMNA (0.57) JAK2PARP1CDC7MAP4K2HTT
SCHEMBL27964788 0.78 RORB (0.68) JAK2PARP1IKBKBRAB9ASMN1; SMN2
SCHEMBL27866855 0.78 DYRK1A (0.60) DYRK1ACLK4HTTKMT2AKDM4E

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-1575918-A2 SUBSTITUTED BIARYL-4-CARBOXYLIC ACID ARYLAMIDE ANALOGUES AS CAPSAICIN RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2005-09-21 EP claimed
WO-2004056774-A2 SUBSTITUTED BIPHENYL-4-CARBOXYLIC ACID ARYLAMIDE ANALOGUES AS CAPSAICIN RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2004-07-08 WO claimed