SCHEMBL29244430

SCHEMBL29244430

CC(CNC(=O)OC(C)(C)C)Oc1c(Cl)nc(Cl)nc1NCCc1c[nH]c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ TSHR P16473 2/20 0.41
▸ CTSL P07711 1/20 0.41
▸ CTSS P25774 1/20 0.41
▸ CTSK P43235 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ TACR3 P29371 1/20 0.41
▸ MAPT P10636 4/20 0.40
▸ FAAH O00519 1/20 0.40
▸ TACR1 P25103 2/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ ALOX15 P16050 1/20 0.40

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
SCHEMBL29244434 1.00 MEN1 (0.41) MEN1KMT2ATSHRCTSLCTSS
SCHEMBL31535606 1.00 MEN1 (0.41) MEN1KMT2ATSHRCTSLCTSS
SCHEMBL29244476 1.00 MEN1 (0.41) MEN1KMT2ATSHRCTSLCTSS
SCHEMBL30278018 1.00 MEN1 (0.41) MEN1KMT2ATSHRCTSLCTSS
SCHEMBL31535601 0.86 FAAH (0.44) MEN1KMT2ATSHRLMNACYP1A2
SCHEMBL30698012 0.85 SSTR3 (0.44) KMT2ACTSLCTSSCTSKTACR3
SCHEMBL31535595 0.82 NPC1 (0.42) MEN1KMT2ATSHRCTSLCTSS
SCHEMBL29244438 0.82 KMT2A (0.45) MEN1KMT2ALMNAMAPTKDM4E
SCHEMBL29244634 0.82 KMT2A (0.45) MEN1KMT2ALMNAMAPTKDM4E
SCHEMBL30698044 0.82 KMT2A (0.45) MEN1KMT2ALMNAMAPTKDM4E

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
CN-118076613-A Compounds useful for modulating AhR signaling 捷豹治疗有限公司 2024-05-24 — — CN disclosed
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