SCHEMBL31474568

SCHEMBL31474568

O=C(O)c1ccc(Cl)cn1.[Ir]

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P4HTM Q9NXG6 7/20 0.57
▸ P4HA1 P13674 1/20 0.57
▸ MIF P14174 1/20 0.57
▸ KDM4E B2RXH2 2/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ MAOB P27338 1/20 0.51
▸ MAP4K4 O95819 1/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ MAPK1 P28482 1/20 0.47

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
SCHEMBL211889 0.98 P4HTM (0.59) P4HTMP4HA1MIFKDM4EALDH1A1
Hydrochloric Acid SCHEMBL1828697 0.96 P4HTM (0.57) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL4558391 0.85 MAP4K4 (0.55) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL10815017 0.82 MAOB (0.55) P4HTMMAOBL3MBTL1
SCHEMBL4725410 0.82 MAP4K4 (0.68) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL1441384 0.80 MAOB (0.53) P4HTMMAOBL3MBTL1
SCHEMBL1788326 0.78 PTK2 (0.53) P4HTMALDH1A1MAOBL3MBTL1
SCHEMBL447835 0.78 MAOB (0.56) MAOBMAP4K4L3MBTL1
SCHEMBL8077534 0.78 MAOB (0.51) P4HTMMAOBL3MBTL1
SCHEMBL25414344 0.78 MAOB (0.56) P4HTMKDM4EALDH1A1MAOBL3MBTL1

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
CN-119591507-A Gem-difluorocyclopentane compounds and methods of synthesizing the same 南通大学 2025-03-11 — — CN claimed
CN-119591507-A Gem-difluorocyclopentane compounds and methods of synthesizing the same 南通大学 2025-03-11 — — CN disclosed
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