SCHEMBL29930673

SCHEMBL29930673

O=C(NCc1cc(-c2cccs2)[nH]n1)c1cc(F)ccc1N1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.41
KDM5B Q9UGL1 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
PTGER2 P43116 2/20 0.39
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
USP2 O75604 1/20 0.37

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
SCHEMBL23611734 1.00 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL23623339 0.99 ALDH1A1 (0.43) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL23623240 0.89 KMT2A (0.45) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL23623631 0.89 KMT2A (0.45) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL23623306 0.88 KMT2A (0.46) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL23623596 0.87 KDM4E (0.46) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL23623320 0.85 KMT2A (0.40) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL23644949 0.83 ALDH1A1 (0.40) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL23623337 0.83 POLB (0.39) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL23623323 0.81 HDAC3 (0.47) ALDH1A1MAPTKDM4ELMNASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4085056-A1 POLYCYCLIC AMIDES AS UBE2K MODULATORS FOR TREATING CANCER Berg LLC (US) 2022-11-09 EP disclosed
CN-115210229-A Polycyclic amides as UBE2K modulators for the treatment of cancer 博格有限责任公司 2022-10-18 CN disclosed