SCHEMBL19687594

SCHEMBL19687594

Cc1ccc2c(cc(C#N)n2CCN2CCCC2)c1C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
SCN7A Q01118 2/20 0.40
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 9/20 0.38
KMT2A Q03164 2/20 0.38
SCN5A Q14524 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN8A Q9UQD0 1/20 0.38
MAPT P10636 1/20 0.36
RAB9A P51151 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
SCHEMBL19687586 0.90 MEN1 (0.46) LMNAMEN1KMT2AMAPT
SCHEMBL19687591 0.78 MEN1 (0.43) ESR1ESR2MEN1KMT2AMAPT
SCHEMBL19687577 0.76 MEN1 (0.46) POLBMEN1KMT2AMAPTRAB9A
SCHEMBL19687581 0.75 KDM4E (0.44) LMNAPOLBMEN1KMT2ARAB9A
SCHEMBL19687576 0.74 RAB9A (0.35) LMNAMEN1KMT2ARAB9A
SCHEMBL19687598 0.74 RAB9A (0.35) LMNAMAPTRAB9A
SCHEMBL19687579 0.73 RAB9A (0.33) MEN1KMT2AMAPTRAB9A
SCHEMBL19687573 0.72 MEN1 (0.37) MEN1KMT2ARAB9A
SCHEMBL19687583 0.72 MEN1 (0.43) LMNAPOLBMEN1KMT2AMAPT
SCHEMBL19687584 0.72 PARG (0.39) MEN1KMT2ARAB9A

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