SCHEMBL31096524

SCHEMBL31096524

O=C(O)Cn1nc(-c2ccccn2)ccc1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ PKM P14618 2/20 0.52
▸ ADRB2 P07550 1/20 0.52
▸ LMNA P02545 3/20 0.49
▸ HTT P42858 4/20 0.49
▸ TSHR P16473 1/20 0.47
▸ PTGDR2 Q9Y5Y4 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ KDM6B O15054 1/20 0.43
▸ KDM4A O75164 1/20 0.43
▸ KDM5C P41229 1/20 0.43
▸ KDM4C Q9H3R0 1/20 0.43
▸ KDM2A Q9Y2K7 1/20 0.43
▸ KDM3A Q9Y4C1 1/20 0.43
▸ CYP1A2 P05177 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ CCR1 P32246 1/20 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
SCHEMBL23202468 1.00 KDM4E (0.52) KDM4EMEN1KMT2AALDH1A1PKM
SCHEMBL23202504 0.88 KDM4E (0.47) KDM4EMEN1KMT2AALDH1A1PKM
SCHEMBL31096548 0.88 KDM4E (0.47) KDM4EMEN1KMT2AALDH1A1PKM
SCHEMBL31096525 0.85 KDM4E (0.69) KDM4EMEN1KMT2AALDH1A1PKM
SCHEMBL23202557 0.85 KDM4E (0.69) KDM4EMEN1KMT2AALDH1A1PKM
SCHEMBL23479904 0.85 HTT (0.47) KDM4EMEN1KMT2AALDH1A1PKM
SCHEMBL31096541 0.85 KDM4E (0.53) KDM4EMEN1KMT2AALDH1A1PKM
SCHEMBL23202481 0.85 HTT (0.53) KDM4EMEN1KMT2AALDH1A1PKM
SCHEMBL23202617 0.85 KDM4E (0.53) KDM4EMEN1KMT2AALDH1A1PKM
SCHEMBL23202494 0.84 KDM4E (0.57) KDM4EMEN1KMT2AALDH1A1PKM

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-112533601-B EAAT2 activators and methods of use thereof 俄亥俄州创新基金会 2024-08-16 — — CN disclosed
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