SCHEMBL25794215

SCHEMBL25794215

NCCCCCSc1nc(N(N)Cc2ccc(Cl)cc2)c(N)c(N2CCNCC2)n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 5/20 0.42
▸ ESR2 Q92731 5/20 0.42
▸ LMNA P02545 1/20 0.34
▸ CETP P11597 4/20 0.33
▸ HRH3 Q9Y5N1 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ HRH4 Q9H3N8 3/20 0.31
▸ SOS1 Q07889 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ HTR3E A5X5Y0 1/20 0.30
▸ HTR3B O95264 1/20 0.30
▸ ADRB1 P08588 1/20 0.30
▸ HTR3A P46098 1/20 0.30
▸ HTR3D Q70Z44 1/20 0.30
▸ HTR3C Q8WXA8 1/20 0.30
▸ SIGMAR1 Q99720 1/20 0.30
▸ ADK P55263 1/20 0.30

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
SCHEMBL25794232 0.74 USP28 (0.50) ESR1ESR2LMNAHRH4
Hydrochloric Acid SCHEMBL7093198 0.63 HRH3 (0.50) ESR1ESR2LMNACETPHRH3
SCHEMBL4316313 0.59 ESR1 (1.00) ESR1ESR2CETP
SCHEMBL4025742 0.57 HDAC3 (0.54) LMNA
SCHEMBL9083039 0.55 KDM4E (0.51) LMNA
SCHEMBL604139 0.55 HRH4 (0.56) CETPHRH3HRH4SOS1KCNH2
SCHEMBL7433560 0.54 ADRB1 (0.49) LMNACETPHTR3EHTR3BADRB1
Propylamine SCHEMBL8390972 0.54 ADRB1 (0.73) LMNACETPCYP1A2CYP2D6HTR3E
SCHEMBL588594 0.54 ADRB1 (0.79) CETPCYP1A2CYP2D6HTR3EHTR3B
SCHEMBL17822440 0.53 HRH4 (0.56) HRH3HRH4KCNH2

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
WO-2023122298-A1 PROTEIN STABILIZING COMPOUNDS CONTAINING USP28 AND/OR USP25 TARGETING LIGANDS Stablix, Inc. (US) 2023-06-29 — — WO disclosed
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