SCHEMBL19687735

SCHEMBL19687735

CCc1cc2c(N3CCC4(CN(C(=O)OC(C)(C)C)C4)C3)ncnc2s1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 6/20 0.53
MEN1 O00255 11/20 0.53
KMT2A Q03164 7/20 0.53
ALDH1A1 P00352 2/20 0.50
TSHR P16473 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HRH4 Q9H3N8 1/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 2/20 0.49
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL19687734 0.95 P2RY12 (0.56) P2RY12MEN1KMT2AALDH1A1TSHR
SCHEMBL19979058 0.90 MEN1 (0.65) P2RY12MEN1KMT2A
SCHEMBL19850562 0.87 MEN1 (0.53) P2RY12MEN1KMT2A
SCHEMBL19687656 0.86 MEN1 (0.48) P2RY12MEN1KMT2A
SCHEMBL19032310 0.86 MEN1 (0.62) P2RY12MEN1KMT2A
SCHEMBL19979031 0.86 MEN1 (0.62) P2RY12MEN1KMT2A
SCHEMBL19838148 0.86 MEN1 (0.55) P2RY12MEN1KMT2A
SCHEMBL21160537 0.86 MEN1 (0.62) P2RY12MEN1KMT2A
SCHEMBL19032271 0.85 MEN1 (0.59) P2RY12MEN1KMT2A
SCHEMBL5850552 0.85 P2RY12 (0.68) P2RY12MEN1KMT2AALDH1A1TSHR

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