SCHEMBL14223125

SCHEMBL14223125

CCNCCOc1ccc2[nH]c(NC(=O)c3[nH]cnc3C(=O)Nc3c(Cl)cccc3Cl)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.41
LMNA P02545 1/20 0.41
HIF1A Q16665 1/20 0.41
ALDH1A1 P00352 6/20 0.39
ABL1 P00519 2/20 0.39
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
HPGD P15428 3/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPT P10636 2/20 0.38
ITGB1 P05556 1/20 0.38
ITGA5 P08648 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
MET P08581 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
CDK9 P50750 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38

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
SCHEMBL214530 0.89 HRH3 (0.49) MAPK1LMNAHIF1AALDH1A1ABL1
SCHEMBL214297 0.84 EPHX2 (0.44) ALDH1A1SMN1; SMN2KDM4EMET
SCHEMBL216122 0.83 EPHX2 (0.43) MAPK1LMNAHIF1AALDH1A1SMN1; SMN2
SCHEMBL213580 0.82 LMNA (0.47) MAPK1LMNAHIF1AALDH1A1ABL1
SCHEMBL213876 0.80 EPHX2 (0.42) MEN1KMT2AMAPT
SCHEMBL2735344 0.80 NPC1 (0.52) MAPK1LMNAALDH1A1MEN1KMT2A
SCHEMBL215460 0.79 LMNA (0.46) MAPK1LMNAHIF1AABL1SMN1; SMN2
SCHEMBL3992127 0.79 HRH2 (0.41) KDM4EMETHSD17B10
SCHEMBL214860 0.79 LMNA (0.45) MAPK1LMNAHIF1AABL1SMN1; SMN2
SCHEMBL2735389 0.79 LMNA (0.45) MAPK1LMNAHIF1AALDH1A1SMN1; SMN2

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
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO disclosed