SCHEMBL31744291

SCHEMBL31744291

O=C(Nc1ccc(-c2ccc(C(=O)N3CCC(F)(F)CC3)cc2)c(C#Cc2ccc(F)cc2)c1)Oc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GPR183 P32249 6/20 0.40
▸ USP2 O75604 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ FAAH O00519 1/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ GRM3 Q14832 1/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ NAMPT P43490 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SLC6A7 Q99884 1/20 0.37
▸ FASN P49327 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ GRM5 P41594 2/20 0.36
▸ PAX8 Q06710 1/20 0.36
▸ HSD11B1 P28845 1/20 0.36

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
SCHEMBL31744289 0.79 GPR183 (0.47) GPR183GRM3NAMPTFASN
SCHEMBL31037287 0.79 NAMPT (0.45) ALDH1A1FAAHNAMPTMEN1KMT2A
SCHEMBL31037266 0.76 NAMPT (0.46) NAMPTKMT2A
SCHEMBL31744294 0.76 HSD11B1 (0.45) GPR183ALDH1A1SMN1; SMN2GRM3FASN
SCHEMBL31037251 0.74 ROCK2 (0.44) NAMPT
SCHEMBL31037249 0.73 ALDH1A1 (0.45) ALDH1A1FAAHMEN1KMT2ACYP1A2
SCHEMBL31037357 0.71 PAX8 (0.42) USP2ALDH1A1TSHRFAAHSMN1; SMN2
SCHEMBL31037248 0.70 AR (0.43) ALDH1A1FAAHSMN1; SMN2MEN1KMT2A
SCHEMBL31037303 0.69 ALOX15 (0.43) USP2ALDH1A1NAMPTMEN1KMT2A
SCHEMBL21166248 0.68 SLC6A7 (0.57) GPR183ALDH1A1PTPN1MEN1KMT2A

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