SCHEMBL19638786

SCHEMBL19638786

Nc1ccc(Oc2ccc(C34C[C@H]5C[C@H](C3)C[C@@H](C4)C5)cc2)nc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
LMNA P02545 4/20 0.57
KDM4E B2RXH2 5/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
RAB9A P51151 2/20 0.50
POLB P06746 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
BRCA1 P38398 1/20 0.43
HBB P68871 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PGR P06401 1/20 0.39
HIF1A Q16665 3/20 0.39
GAA P10253 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
KEAP1 Q14145 1/20 0.37
CASP2 P42575 1/20 0.36
EPHX2 P34913 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL31225326 1.00 ALDH1A1 (0.57) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL15055285 1.00 ALDH1A1 (0.57) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL21606691 0.85 KDM4E (0.50) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL16216733 0.83 MEN1 (0.46) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL27210040 0.83 MEN1 (0.46) ALDH1A1LMNAMEN1KMT2ARAB9A
SCHEMBL21606690 0.82 KDM4E (0.47) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL21606860 0.82 KDM4E (0.47) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL24742647 0.82 KDM4E (0.44) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL19638852 0.82 ALDH1A1 (0.79) ALDH1A1LMNAMEN1KMT2ARAB9A
SCHEMBL15055320 0.82 ALDH1A1 (0.79) ALDH1A1LMNAMEN1KMT2ARAB9A

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-2793884-B1 INHIBITORS OF NOTCH SIGNALLING PATHWAY AND USE THEREOF IN TREATMENT OF CANCERS ECOLE POLYTECHNIQUE FED LAUSANNE EPFL (CH) 2017-11-29 EP claimed