SCHEMBL3477656

SCHEMBL3477656

COc1ccc(C)cc1C(=O)NNc1nnc(Cc2ccc(C(F)(F)F)cc2)s1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
POLB P06746 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 1/20 0.49
RXFP1 Q9HBX9 3/20 0.48
KDM4E B2RXH2 2/20 0.47
SCD O00767 1/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
GAA P10253 2/20 0.46
ATM Q13315 1/20 0.46
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL3467304 0.86 KMT2A (0.53) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL3467575 0.81 MEN1 (0.58) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL3468120 0.80 L3MBTL1 (0.43) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL3476363 0.79 KMT2A (0.46) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL3477650 0.78 POLB (0.42) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL3467128 0.77 KMT2A (0.44) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL3468757 0.75 ALDH1A1 (0.58) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL3476631 0.74 KMT2A (0.45) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL3468829 0.73 L3MBTL1 (0.44) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL5439890 0.73 KMT2A (0.80) KMT2AMEN1POLBNPC1RAB9A

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-2010073011-A2 COMPOUNDS USEFUL AS MEDICAMENTS BETAGENON AB (SE) 2010-07-01 WO disclosed