SCHEMBL19687576

SCHEMBL19687576

Cc1ccc2c(cc(C#N)n2CC(F)(F)F)c1C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
AR P10275 2/20 0.34
PGR P06401 1/20 0.34
MEN1 O00255 14/20 0.33
KMT2A Q03164 5/20 0.33
RORA P35398 1/20 0.32
RORC P51449 1/20 0.32
RORB Q92753 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 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
SCHEMBL19687746 0.83 CYP1A2 (0.34) RAB9ACYP1A2CYP3A4CYP2C19AR
SCHEMBL19687598 0.80 RAB9A (0.35) RAB9ALMNATSHR
SCHEMBL19687591 0.76 MEN1 (0.43) RAB9AMEN1KMT2ATSHR
SCHEMBL2435072 0.76 AR (0.40) ARPGRRORARORCRORB
SCHEMBL14231639 0.75 PGR (0.31) CYP1A2CYP3A4CYP2C19ARPGR
SCHEMBL19687583 0.75 MEN1 (0.43) RAB9AMEN1KMT2ALMNATSHR
SCHEMBL24035198 0.74 RORA (0.34) CYP1A2CYP2C19ARPGRRORA
SCHEMBL19687577 0.74 MEN1 (0.46) RAB9AMEN1KMT2ATSHR
SCHEMBL19687594 0.74 ESR1 (0.40) RAB9AMEN1KMT2ALMNA
SCHEMBL19687579 0.73 RAB9A (0.33) RAB9APGRMEN1KMT2A

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