SCHEMBL29198168

SCHEMBL29198168

COC(=O)c1cccc(NC2CCC(C(=O)Nc3ccc(C)c(OC)c3)CC2)c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.44
▸ GRM4 Q14833 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ HSD17B10 Q99714 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40
▸ SIRT5 Q9NXA8 1/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ TSHR P16473 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
SCHEMBL30870533 1.00 POLB (0.44) POLBGRM4ALDH1A1KMT2ASMN1; SMN2
SCHEMBL29198166 1.00 POLB (0.44) POLBGRM4ALDH1A1KMT2ASMN1; SMN2
SCHEMBL30870598 0.90 GRM4 (0.40) POLBGRM4ALDH1A1KMT2AMEN1
SCHEMBL29198165 0.90 GRM4 (0.40) POLBGRM4ALDH1A1KMT2AMEN1
SCHEMBL30870626 0.89 POLB (0.45) POLBGRM4ALDH1A1KMT2ASMN1; SMN2
SCHEMBL28502106 0.89 POLB (0.45) POLBGRM4ALDH1A1KMT2ASMN1; SMN2
SCHEMBL28512461 0.85 MAPT (0.49) POLBALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL30870559 0.85 MAPT (0.49) POLBALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL29198258 0.85 POLB (0.43) POLBGRM4ALDH1A1KMT2ASMN1; SMN2
SCHEMBL29198178 0.85 EGFR (0.43) POLBGRM4KMT2AMEN1KDM4E

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-112074511-B Substituted benzodiazoles and their use in therapy 托马斯·黑勒戴药物研究基金会 2024-04-26 — — CN disclosed
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