SCHEMBL30039573

SCHEMBL30039573

C=C(c1ccc(C(=O)OC)cc1)c1ccccn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.67
▸ KDM4E B2RXH2 5/20 0.67
▸ POLB P06746 1/20 0.67
▸ PKM P14618 5/20 0.62
▸ RAB9A P51151 9/20 0.56
▸ NPC1 O15118 7/20 0.56
▸ SMN1; SMN2 Q16637 4/20 0.56
▸ ALDH1A1 P00352 4/20 0.56
▸ NFKB1 P19838 1/20 0.56
▸ NFKB2 Q00653 1/20 0.56
▸ RELA Q04206 1/20 0.56
▸ CDK5 Q00535 4/20 0.50
▸ CDK5R1 Q15078 4/20 0.50
▸ PAX8 Q06710 3/20 0.50
▸ HPGD P15428 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ KMT2A Q03164 1/20 0.48
▸ RGS12 O14924 1/20 0.47
▸ CASP3 P42574 2/20 0.47
▸ SENP8 Q96LD8 2/20 0.47

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
SCHEMBL23535713 1.00 MAPT (0.67) MAPTKDM4EPOLBPKMRAB9A
SCHEMBL9336728 0.87 KDM4E (0.55) MAPTKDM4EPOLBPKMRAB9A
SCHEMBL13600088 0.84 MAPT (0.70) MAPTKDM4EPOLBPKMRAB9A
SCHEMBL29289270 0.81 RAB9A (0.60) MAPTKDM4EPOLBPKMRAB9A
SCHEMBL4311315 0.80 SMN1; SMN2 (0.71) MAPTKDM4EPOLBPKMRAB9A
SCHEMBL4317855 0.80 MAPT (0.65) MAPTKDM4EPOLBPKMRAB9A
SCHEMBL4317861 0.80 MAPT (0.65) MAPTKDM4EPOLBPKMRAB9A
SCHEMBL27665086 0.80 MAPT (1.00) MAPTKDM4EPOLBPKMRAB9A
SCHEMBL4317866 0.80 MAPT (0.65) MAPTKDM4EPOLBPKMRAB9A
SCHEMBL30166417 0.79 KDM4E (0.68) MAPTKDM4EPOLBPKMRAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115427035-A ENL/AF9YEATS inhibitors 洛克菲勒大学 2022-12-02 — — CN disclosed
EP-4076440-A1 INHIBITORS OF ENL/AF9 YEATS The Rockefeller University (US) 2022-10-26 — — EP disclosed
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