SCHEMBL7861715

SCHEMBL7861715

COc1ccc(O)c(C(=O)C2CC=CC2)c1.COc1ccc(OS(=O)(=O)C(F)(F)F)c(C(=O)C2CC=CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
KDM4E B2RXH2 5/20 0.42
LMNA P02545 4/20 0.42
P2RX1 P51575 1/20 0.39
TMPRSS4 Q9NRS4 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.37
MEN1 O00255 4/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 3/20 0.37
TP53 P04637 2/20 0.37
ALOX12 P18054 2/20 0.37
HSD17B10 Q99714 2/20 0.37
HPGD P15428 2/20 0.37
CPS1 P31327 1/20 0.36
TSHR P16473 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 3/20 0.36
ALOX15 P16050 2/20 0.36

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
SCHEMBL5998156 0.94 LMNA (0.46) MAPTKDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL5997708 0.82 NPC1 (0.47) MAPTKDM4ELMNAP2RX1TMPRSS4
SCHEMBL5995248 0.77 MAPT (0.63) MAPTKDM4ELMNASMN1; SMN2MEN1
SCHEMBL3491420 0.76 HSD11B1 (0.50) MAPTKDM4ELMNAP2RX1TMPRSS4
SCHEMBL17080255 0.75 KDM4E (0.48) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL5981077 0.74 KMT2A (0.39) MAPTKDM4ELMNAP2RX1TMPRSS4
SCHEMBL5996935 0.73 CA12 (0.38) MAPTKDM4ELMNAALDH1A1TP53
SCHEMBL4126643 0.72 NPC1 (0.53) MAPTKDM4ELMNAP2RX1TMPRSS4
SCHEMBL5998657 0.71 CA12 (0.42) SMN1; SMN2GAA
SCHEMBL4129937 0.71 MAPT (0.55) MAPTKDM4ELMNASMN1; SMN2RAB9A

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-1076650-A1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS Pfizer Products Inc. (US) 2001-02-21 EP disclosed
WO-1999055680-A1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 1999-11-04 WO disclosed