SCHEMBL30874152

SCHEMBL30874152

COc1ccc(C(=O)N2CCC(C(=O)N3CCNCC3)CC2)cc1N1CCC(=O)NC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ GAA P10253 1/20 0.43
▸ SOS1 Q07889 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ NR3C1 P04150 1/20 0.41
▸ PGR P06401 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ PDE3B Q13370 1/20 0.41
▸ PDE3A Q14432 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ LRRK2 Q5S007 1/20 0.40
▸ TLR8 Q9NR97 1/20 0.40
▸ TLR7 Q9NYK1 1/20 0.40
▸ HSD11B1 P28845 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL31255572 0.92 GAA (0.48) MEN1KMT2AGAASOS1ALDH1A1
SCHEMBL24735010 0.91 NR3C1 (0.47) KMT2AALDH1A1POLBNR3C1PGR
SCHEMBL29841507 0.91 NR3C1 (0.47) KMT2AALDH1A1POLBNR3C1PGR
SCHEMBL21409416 0.91 MEN1 (0.49) MEN1KMT2AGAASOS1ALDH1A1
SCHEMBL31255318 0.91 MEN1 (0.47) MEN1KMT2AGAASOS1ALDH1A1
Hydrochloric Acid SCHEMBL29841613 0.90 NR3C1 (0.46) KMT2AALDH1A1POLBNR3C1PGR
SCHEMBL31255602 0.89 L3MBTL3 (0.44) KMT2AALDH1A1POLBNR3C1PGR
SCHEMBL31255457 0.88 SOS1 (0.46) MEN1KMT2AGAASOS1ALDH1A1
SCHEMBL31255603 0.88 KDM4E (0.48) ALDH1A1NR3C1PGRSLC6A4KCNH2
SCHEMBL31255622 0.88 SOS1 (0.44) MEN1KMT2AGAASOS1ALDH1A1

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-118754858-A N- (3- (7H-pyrrolo [2,3-d ] pyrimidin-4-yl) phenyl) benzamide derivatives 诺华股份有限公司 2024-10-11 — — CN disclosed
CN-111936498-B N- (3- (7H-pyrrolo [2,3-d ] pyrimidin-4-yl) phenyl) benzamide derivatives 诺华股份有限公司 2024-04-16 — — CN disclosed
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