SCHEMBL19687746

SCHEMBL19687746

Cc1c(C=O)ccc2c1cc(C#N)n2CC(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 13/20 0.34
KMT2A Q03164 6/20 0.33
RAB9A P51151 1/20 0.32
AR P10275 3/20 0.32
PGR P06401 1/20 0.32
RORA P35398 1/20 0.32
RORC P51449 1/20 0.32
RORB Q92753 1/20 0.32
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
STAT3 P40763 1/20 0.30

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
SCHEMBL19687576 0.83 RAB9A (0.35) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL19687618 0.82 RAB9A (0.32) MEN1RAB9AALDH1A1
SCHEMBL30406055 0.82 ALDH1A1 (0.42) CYP1A2CYP3A4CYP2C19MEN1RAB9A
SCHEMBL17596607 0.81 GAA (0.37) MEN1KMT2ARAB9APGRALDH1A1
SCHEMBL25422550 0.78 RAB9A (0.36) MEN1RAB9APGR
SCHEMBL20259682 0.77 HRH1 (0.38) MEN1KMT2ARAB9A
SCHEMBL17596695 0.76 LMNA (0.35) MEN1KMT2AARPGRALDH1A1
SCHEMBL23225490 0.75 MEN1 (0.36) MEN1KMT2AALDH1A1
SCHEMBL19300239 0.75 PTGER4 (0.33) MEN1KMT2ARAB9A
SCHEMBL12327786 0.75 AR (0.38) CYP1A2CYP3A4CYP2C19RAB9AAR

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