SCHEMBL26037684

SCHEMBL26037684

CC(=O)N1CCN(C(=O)c2cc(C(C)C)c3c(c2)cc(C(=O)O)n3C)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.40
HSP90AB1 P08238 4/20 0.40
HPGD P15428 2/20 0.38
GLRA1 P23415 2/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ACACB O00763 2/20 0.36
ACACA Q13085 2/20 0.36
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MCL1 Q07820 2/20 0.34
POLB P06746 1/20 0.34
PARP1 P09874 1/20 0.34
GPR35 Q9HC97 1/20 0.33

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
SCHEMBL23809400 0.87 HSP90AA1 (0.53) HSP90AA1HSP90AB1HPGDGLRA1TSHR
SCHEMBL23809313 0.82 HSD17B10 (0.46) HPGDALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL23809267 0.81 HRH3 (0.43) HPGDALDH1A1KDM4EHSD17B10MEN1
SCHEMBL23809170 0.75 HSD17B10 (0.47) HPGDALDH1A1KDM4EHSD17B10MEN1
SCHEMBL23809290 0.70 KDM4E (0.54) HPGDTSHRALDH1A1KDM4EHSD17B10
SCHEMBL23809525 0.70 HRH3 (0.41) HPGDALDH1A1KDM4EHSD17B10MEN1
SCHEMBL23809497 0.68 ALDH1A1 (0.36) HSP90AA1HSP90AB1HPGDALDH1A1KDM4E
SCHEMBL26037572 0.68 HRH3 (0.39) HPGDALDH1A1KDM4EHSD17B10MEN1
SCHEMBL23809489 0.68 HSD17B10 (0.46) HPGDALDH1A1KDM4EHSD17B10LMNA
SCHEMBL23809365 0.68 F2 (0.38) HSP90AA1HPGDALDH1A1KDM4EHSD17B10

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
EP-3423435-B1 SUBSTITUTED INDOLE MCL-1 INHIBITORS UNIV VANDERBILT (US) 2023-08-23 EP disclosed