SCHEMBL19795014

SCHEMBL19795014

Cc1ccc(Br)c(C(=O)C2CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
CYP2D6 P10635 2/20 0.44
HPGD P15428 3/20 0.43
EGFR P00533 1/20 0.42
NPC1 O15118 4/20 0.39
RAB9A P51151 3/20 0.39
CSNK2A1 P68400 1/20 0.39
F2R P25116 1/20 0.39
HTT P42858 4/20 0.38
MAPT P10636 3/20 0.38
ALOX12 P18054 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPK1 P28482 1/20 0.38
POLB P06746 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL11069168 0.80 CSNK2A1 (0.58) MEN1KMT2ACYP2D6RAB9ACSNK2A1
SCHEMBL1341532 0.79 MAPT (0.49) MEN1KMT2ACYP2D6NPC1RAB9A
SCHEMBL12442147 0.78 KMT2A (0.50) MEN1KMT2ACYP2D6NPC1RAB9A
SCHEMBL27992485 0.77 MAPT (0.49) MEN1KMT2ANPC1CSNK2A1F2R
SCHEMBL1347939 0.75 RAB9A (0.55) MEN1KMT2ACYP2D6HPGDNPC1
SCHEMBL5329509 0.75 KMT2A (0.44) MEN1KMT2ACYP2D6NPC1RAB9A
SCHEMBL136961 0.75 F2R (0.47) MEN1KMT2ANPC1CSNK2A1F2R
SCHEMBL30844550 0.75 F2R (0.47) MEN1KMT2ANPC1CSNK2A1F2R
SCHEMBL500361 0.75 CSNK2A1 (0.61) MEN1KMT2ANPC1CSNK2A1F2R
SCHEMBL3735051 0.73 CSNK2A1 (0.44) MEN1KMT2ANPC1RAB9ACSNK2A1

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-2018015410-A1 BICYCLIC PROLINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2018-01-25 WO disclosed