SCHEMBL24136189

SCHEMBL24136189

COc1ccc(F)c2c1cc(C)n2I

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NQO1 P15559 1/20 0.35
TUBB1 Q9H4B7 3/20 0.34
LMNA P02545 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPK1 P28482 2/20 0.33
RAB9A P51151 2/20 0.33
ACHE P22303 1/20 0.33
HTT P42858 1/20 0.33
CYP19A1 P11511 2/20 0.33
NQO2 P16083 2/20 0.33
NR4A1 P22736 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
HPGD P15428 2/20 0.32
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32
NPC1 O15118 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
SCHEMBL24136206 0.87 CYP19A1 (0.35) MEN1KMT2ATUBB1LMNAALDH1A1
SCHEMBL24136153 0.83 PDE2A (0.35)
SCHEMBL24136204 0.82 L3MBTL1 (0.35) MEN1KMT2ANQO1TUBB1LMNA
SCHEMBL22434669 0.81 CYP19A1 (0.40) MEN1KMT2ANQO1TUBB1LMNA
SCHEMBL24136193 0.79 HRH4 (0.33)
SCHEMBL24136167 0.78 IMPDH2 (0.37) MEN1KMT2ANQO1LMNAALDH1A1
SCHEMBL24136162 0.77 CYP11B1 (0.35)
SCHEMBL20505016 0.75 HASPIN (0.39) LMNAALDH1A1MAPTKDM4ECYP19A1
SCHEMBL29763984 0.75 HASPIN (0.39) LMNAALDH1A1MAPTKDM4ECYP19A1
Hydrochloric Acid SCHEMBL23152610 0.74 HASPIN (0.38) MEN1KMT2ALMNAALDH1A1MAPT

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-3928836-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2021-12-29 EP disclosed