SCHEMBL4721472

SCHEMBL4721472

NC(=S)NCC(c1ccccc1)(c1ccc(F)cc1)c1cc(F)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 6/20 0.41
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
MYC P01106 1/20 0.40
MAX P61244 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KCNN4 O15554 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
KCNH2 Q12809 3/20 0.37
SLC6A9 P48067 1/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 1/20 0.36
P2RX1 P51575 1/20 0.35

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
SCHEMBL4717108 0.81 CETP (0.50) CETPKCNH2
SCHEMBL4969174 0.80 CETP (0.48) CETPALDH1A1LMNAL3MBTL1KCNN4
SCHEMBL4967551 0.77 CETP (0.43) CETPKCNH2SLC6A9P2RX1
SCHEMBL4966775 0.77 CETP (0.43) CETPKCNH2SLC6A9P2RX1
SCHEMBL4970220 0.77 CETP (0.43) CETPKCNH2SLC6A9P2RX1
SCHEMBL4971187 0.74 CETP (0.65) CETPALDH1A1LMNAMEN1KMT2A
SCHEMBL4716662 0.74 DDR1 (0.40) CETPLMNAL3MBTL1POLBKCNH2
SCHEMBL843539 0.73 CETP (0.64) CETPCTSLCTSBKCNH2
SCHEMBL843538 0.73 CETP (0.64) CETPCTSLCTSBKCNH2
SCHEMBL4969024 0.72 CETP (0.66) CETPALDH1A1LMNAMEN1KMT2A

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
EP-1951690-A1 HETEROCYCLIC CETP INHIBITORS Brystol-Myers Squibb Company (US) 2008-08-06 EP disclosed
WO-2007062342-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed