SCHEMBL29471207

SCHEMBL29471207

COc1cc(N2CCCc3ccc([N+](=O)[O-])cc32)c2cc(C)c(=O)n(C)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 1/20 0.36
▸ MAPT P10636 8/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NR1H4 Q96RI1 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MTNR1A P48039 1/20 0.35
▸ MTNR1B P49286 1/20 0.35
▸ SNCA P37840 1/20 0.35
▸ TUBB4A P04350 1/20 0.35
▸ TUBB P07437 1/20 0.35
▸ TUBA3C P0DPH7 1/20 0.35
▸ TUBA1B P68363 1/20 0.35
▸ TUBA4A P68366 1/20 0.35
▸ TUBB4B P68371 1/20 0.35
▸ TUBB3 Q13509 1/20 0.35
▸ TUBB2A Q13885 1/20 0.35
▸ TUBB8 Q3ZCM7 1/20 0.35

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
SCHEMBL26548842 0.85 BRPF1 (0.41) MAPTALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL26547524 0.83 TUBB4A (0.45) MAPTALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL29471205 0.83 TP53 (0.38) ALDH1A1L3MBTL1TUBB4ATUBBTUBA3C
SCHEMBL26548857 0.83 CA1 (0.41) ALDH1A1KDM4EL3MBTL1TUBB4ATUBB
SCHEMBL29471266 0.83 CA1 (0.41) ALDH1A1KDM4EL3MBTL1TUBB4ATUBB
SCHEMBL26548859 0.83 TP53 (0.38) ALDH1A1L3MBTL1TUBB4ATUBBTUBA3C
SCHEMBL24316820 0.82 CREBBP (0.36) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL24316561 0.82 BRPF1 (0.40) MAPTALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL29471267 0.80 NLRP3 (0.46) ALDH1A1LMNATUBB4ATUBBTUBA3C
SCHEMBL24317141 0.80 NLRP3 (0.46) ALDH1A1LMNATUBB4ATUBBTUBA3C

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
EP-4210683-A1 HETEROCYCLIC COMPOUNDS AS CBP/EP300 BROMODOMAIN INHIBITORS Aurigene Oncology Limited (IN) 2023-07-19 — — EP disclosed
WO-2022053967-A1 HETEROCYCLIC COMPOUNDS AS CBP/EP300 BROMODOMAIN INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2022-03-17 — — WO disclosed
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