SCHEMBL14600348

SCHEMBL14600348

CC(C)c1ccc(Cn2cc(C(F)(F)F)ccc2=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.58
HTT P42858 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 4/20 0.54
POLB P06746 1/20 0.54
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
P2RX3 P56373 1/20 0.46
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL8299970 0.84 KMT2A (0.62) KMT2AHTTL3MBTL1LMNAMAPT
SCHEMBL6115772 0.84 KMT2A (0.59) KMT2AHTTL3MBTL1LMNAMAPT
SCHEMBL6116412 0.82 NPC1 (0.61) KMT2AHTTL3MBTL1LMNAMAPT
SCHEMBL1178416 0.81 KMT2A (0.55) KMT2AHTTL3MBTL1LMNAMAPT
SCHEMBL1178424 0.81 KMT2A (0.55) KMT2AHTTL3MBTL1LMNAMAPT
SCHEMBL1177620 0.81 KMT2A (0.55) KMT2AHTTL3MBTL1LMNAMAPT
SCHEMBL7605713 0.81 KMT2A (0.55) KMT2AHTTL3MBTL1LMNAMAPT
SCHEMBL17221629 0.81 KMT2A (0.62) KMT2AHTTL3MBTL1LMNAMAPT
SCHEMBL19501371 0.81 MAPT (0.50) KMT2AHTTLMNAMAPTALDH1A1
SCHEMBL8481152 0.80 POLB (0.67) KMT2AHTTL3MBTL1LMNAMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166603-B2 Dihydropyrimidone inhibitors of calcium channel function BRISTOL-MYERS SQUIBB CO. (US) 2007-01-23 US disclosed
US-7166603-B2 Dihydropyrimidone inhibitors of calcium channel function BRISTOL-MYERS SQUIBB CO. (US) 2007-01-23 US disclosed