SCHEMBL176978

SCHEMBL176978

CS(=O)(=O)Oc1ccc2c(I)nn(C(=O)O)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.40
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
GAA P10253 2/20 0.39
ALPL P05186 2/20 0.37
ALPI P09923 1/20 0.37
PPARG P37231 3/20 0.35
PPARA Q07869 2/20 0.35
ALDH1A2 O94788 1/20 0.35
ALDH1B1 P30837 1/20 0.35
ALDH1A3 P47895 1/20 0.35
RORC P51449 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
DRD3 P35462 1/20 0.31
CA2 P00918 2/20 0.31
CA5A P35218 2/20 0.31
FAAH O00519 1/20 0.31
MEN1 O00255 1/20 0.31
PLIN1 O60240 1/20 0.31
USP2 O75604 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
SCHEMBL177197 0.84 ALDH1A1 (0.39) HPGDALDH1A1KDM4EGAAALPL
SCHEMBL177327 0.73 RORC (0.36) RORC
SCHEMBL26646852 0.73 RORC (0.31) RORC
SCHEMBL26646849 0.73 RORC (0.31) RORC
SCHEMBL9952327 0.69 ELANE (0.45) KDM4ERORC
SCHEMBL4660529 0.69 ELANE (0.44) ALDH1A1RORCSMN1; SMN2MAPT
SCHEMBL14738967 0.68 CPT1A (0.36) HPGDALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL15578607 0.68 ALDH1A1 (0.45) HPGDALDH1A1KDM4EGAARORC
SCHEMBL15578604 0.68 DYRK1A (0.39) ALDH1A1MEN1KMT2A
SCHEMBL14738410 0.67 CA12 (0.41) HPGDALDH1A1KDM4E

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-2345644-A1 INDAZOLE COMPOUND Asahi Kasei Pharma Corporation (JP) 2011-07-20 EP disclosed