SCHEMBL6234874

SCHEMBL6234874

COc1cc(OCc2ccc(SC(F)(F)F)cc2)cc(OC)c1C[C@H](N)Cc1ncc(C)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRZ1 P23471 1/20 0.43
PPARD Q03181 1/20 0.36
NTRK1 P04629 1/20 0.35
CSF1R P07333 1/20 0.35
NTRK2 Q16620 1/20 0.35
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
HTR2A P28223 2/20 0.31
NPC1 O15118 1/20 0.31
MITF O75030 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ABCB1 P08183 1/20 0.31
ABCC1 P33527 1/20 0.31
MBOAT4 Q96T53 1/20 0.31
CTSA P10619 1/20 0.30
TUBB4A P04350 1/20 0.30
TUBB P07437 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
SCHEMBL6271288 0.82 PTPRZ1 (0.38) PTPRZ1PPARDNTRK1CSF1RNTRK2
SCHEMBL6234948 0.82 PTPRZ1 (0.38) PTPRZ1PPARDNTRK1CSF1RNTRK2
SCHEMBL6231278 0.82 PTPRZ1 (0.41) PTPRZ1PPARDNTRK1CSF1RNTRK2
SCHEMBL6231277 0.78 PTPRZ1 (0.41) PTPRZ1PPARDNTRK1CSF1RNTRK2
SCHEMBL6271280 0.76 PTPRZ1 (0.39) PTPRZ1PPARDCTSA
SCHEMBL6234945 0.76 PTPRZ1 (0.39) PTPRZ1PPARDCTSA
SCHEMBL6232926 0.75 PTPRZ1 (0.42) PTPRZ1PPARDHTR2AALDH1A1
SCHEMBL6236911 0.72 PLK1 (0.48) NTRK1CSF1RNTRK2ALDH1A1LMNA
SCHEMBL6232104 0.71 PTPRZ1 (0.42) PTPRZ1PPARDNTRK1CSF1RNTRK2
SCHEMBL6256021 0.71 PTPRZ1 (0.42) PTPRZ1PPARDNTRK1CSF1RNTRK2

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-2005000309-A2 CHEMICAL COMPOUNDS IONIX PHARMACEUTICALS LIMITED (GB) 2005-01-06 WO disclosed