SCHEMBL19687593

SCHEMBL19687593

Cc1ccc2c(cc(C#N)n2CCN(C)C)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.41
RAD52 P43351 1/20 0.41
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HTR6 P50406 1/20 0.34
HTR3A P46098 1/20 0.34
PARG Q86W56 1/20 0.33
WEE1 P30291 1/20 0.33
TOP2A P11388 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
DYRK1A Q13627 1/20 0.32
TERT O14746 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
SCHEMBL19687591 0.81 MEN1 (0.43) RAB9AKDM4ESCARB1
SCHEMBL19687594 0.78 ESR1 (0.40) POLBRAB9ALMNA
SCHEMBL19687577 0.78 MEN1 (0.46) POLBRAB9AKDM4EALDH1A1HSD17B10
SCHEMBL19687581 0.77 KDM4E (0.44) POLBRAB9AKDM4EALDH1A1LMNA
SCHEMBL19687586 0.76 MEN1 (0.46) KDM4EALDH1A1LMNAHPGDHTT
SCHEMBL19687598 0.76 RAB9A (0.35) RAB9AKDM4ELMNAHTT
SCHEMBL19687576 0.76 RAB9A (0.35) RAB9ALMNACYP1A2
SCHEMBL19687583 0.74 MEN1 (0.43) POLBRAB9AKDM4EALDH1A1LMNA
SCHEMBL19687584 0.74 PARG (0.39) RAB9APARG
SCHEMBL19687579 0.72 RAB9A (0.33) RAB9AKDM4EALDH1A1HPGDHSD17B10

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