SCHEMBL2895320

SCHEMBL2895320

O=C(O)c1cc2c(s1)c(I)nn2C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.46
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
DAO P14920 3/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.33
MAP3K8 P41279 2/20 0.32
PIK3R1 P27986 1/20 0.32
PIK3CA P42336 1/20 0.32
BCL2L1 Q07817 1/20 0.31
TBXAS1 P24557 1/20 0.31
PLK4 O00444 1/20 0.31
AURKA O14965 1/20 0.31
DAPK3 O43293 1/20 0.31
CHEK2 O96017 1/20 0.31
CDK1 P06493 1/20 0.31
PIM1 P11309 1/20 0.31

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
SCHEMBL6204919 0.67 GPR35 (0.43) GPR35KDM4EALDH1A1MEN1KMT2A
SCHEMBL16749643 0.66 GPR35 (0.62) GPR35KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL28695182 0.65 GPR35 (0.46) GPR35KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL12606667 0.64 GPR35 (1.00) GPR35KDM4EALDH1A1MEN1KMT2A
SCHEMBL1623178 0.63 GPR35 (0.44) GPR35KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL14739013 0.62 ELANE (0.36) KDM4EALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL9952327 0.62 ELANE (0.45) KDM4EGLARORC
SCHEMBL3636090 0.61 ELANE (0.45) ALDH1A1MEN1KMT2ALMNAAURKA
SCHEMBL3518728 0.61 CHEK1 (0.39) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9953073 0.61 ELANE (0.40) KDM4EALDH1A1MEN1KMT2ADAO

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
EP-1682553-B1 THIENOPYRAZOLES AVENTIS PHARMA INC (US) 2010-05-19 EP disclosed