SCHEMBL19687578

SCHEMBL19687578

Cc1c(N)ccc2c1cc(C#N)n2CCO

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.39
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
RAB9A P51151 1/20 0.37
GAA P10253 1/20 0.36
KDM4E B2RXH2 4/20 0.36
HTT P42858 1/20 0.35
MAPT P10636 3/20 0.34
POLB P06746 1/20 0.34
ATM Q13315 1/20 0.34
LMNA P02545 2/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL19295052 0.81 MEN1 (0.39) KMT2AMEN1RAB9AGAAKDM4E
SCHEMBL17596607 0.80 GAA (0.37) KMT2AMEN1RAB9AGAAKDM4E
SCHEMBL19687587 0.80 RAB9A (0.34) KDM1ARAB9AHTTMAPTLMNA
SCHEMBL19687591 0.78 MEN1 (0.43) KDM1AKMT2AMEN1RAB9AKDM4E
SCHEMBL19300240 0.70 MEN1 (0.33) KMT2AMEN1GAAMAPTLMNA
SCHEMBL1466312 0.69 CFTR (0.47) KDM1AKMT2AMEN1GAAKDM4E
SCHEMBL13547925 0.69 GAA (0.36) KDM1AKMT2AMEN1GAAKDM4E
SCHEMBL19687583 0.69 MEN1 (0.43) KMT2AMEN1RAB9AKDM4EMAPT
SCHEMBL25726488 0.68 PARG (0.30)
SCHEMBL19687594 0.68 ESR1 (0.40) KMT2AMEN1RAB9AMAPTPOLB

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
WO-2017205972-A1 SYSTEMS METHODS AND COMPOSITIONS FOR PREDICTING METASTASIS IN BLADDER CANCER GENOMEDX BIOSCIENCES, INC. (CA) 2017-12-07 WO disclosed