SCHEMBL31424367

SCHEMBL31424367

CCOC(=O)c1cc2cc(C3=CCOC(C)(C)C3)ncc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ HPGD P15428 4/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ NPC1 O15118 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ MMP13 P45452 9/20 0.43
▸ HTT P42858 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ MMP2 P08253 6/20 0.42
▸ MMP14 P50281 4/20 0.42

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
SCHEMBL29129769 0.85 PIN1 (0.37) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL31424332 0.82 MMP13 (0.55) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL31424468 0.82 MMP13 (0.55) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL31472052 0.76 ALDH1A1 (0.38) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL31424364 0.74 RAB9A (0.43) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL2812969 0.74 RAB9A (0.64) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL29721945 0.74 RAB9A (0.64) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL2108919 0.73 KDM4E (0.61) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL9081991 0.72 KDM4E (0.59) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
Ethyne SCHEMBL2106806 0.72 KDM4E (0.56) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2

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-119431365-A Phenyl heterocyclic derivative-containing regulator and preparation method and application thereof 江苏豪森药业集团有限公司 2025-02-14 — — CN disclosed
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