SCHEMBL31037249

SCHEMBL31037249

O=C(Nc1ccc(I)c(C#Cc2ccc(F)cc2)c1)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.45
▸ MAPT P10636 4/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ FAAH O00519 6/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ RAD51 Q06609 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ THRB P10828 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ BRD4 O60885 1/20 0.41

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
SCHEMBL31037248 0.83 AR (0.43) ALDH1A1MAPTKDM4EFAAHCYP1A2
SCHEMBL31037287 0.81 NAMPT (0.45) ALDH1A1MAPTKDM4EFAAHCYP1A2
Phenyl 4-Fluorophenylcarbamate SCHEMBL1892132 0.77 ALDH1A1 (0.70) ALDH1A1MAPTKDM4EFAAHRAD51
SCHEMBL31037357 0.77 PAX8 (0.42) ALDH1A1MAPTKDM4EFAAHRAD51
SCHEMBL31037251 0.76 ROCK2 (0.44) —
Phenyl 4-Fluorophenylcarbamate SCHEMBL27580166 0.76 ALDH1A1 (0.68) ALDH1A1MAPTKDM4EFAAHRAD51
SCHEMBL31037303 0.75 ALOX15 (0.43) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL31704313 0.72 ALDH1A1 (0.56) ALDH1A1MAPTKDM4EFAAHCYP1A2
SCHEMBL29454265 0.72 GRM4 (0.56) ALDH1A1MAPTKDM4EFAAHCYP1A2
SCHEMBL19785029 0.72 GRM4 (0.56) ALDH1A1MAPTKDM4EFAAHCYP1A2

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-4663628-A1 NEW COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Samjin Pharmaceutical Co., Ltd. (KR) 2025-12-17 — — EP disclosed
WO-2024166024-A1 NEW COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 삼진제약주식회사 2024-08-15 — — WO disclosed
Send feedback