SCHEMBL7090723

SCHEMBL7090723

CN1CCOc2cc(Nc3cccc(C(F)(F)F)c3)ccc21

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.49
USP2 O75604 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 2/20 0.44
EGFR P00533 3/20 0.44
IDH2 P48735 4/20 0.44
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
KCNH2 Q12809 2/20 0.43
GPR142 Q7Z601 2/20 0.43
AR P10275 1/20 0.42

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
SCHEMBL16411529 0.77 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1HTTRECQLTP53
SCHEMBL5495442 0.76 TP53 (0.46) TP53POLBGAATDP1GPR142
SCHEMBL24865433 0.74 ALDH1A1 (0.42) ALDH1A1HTTRECQLTP53POLB
SCHEMBL24865212 0.73 ALDH1A1 (0.46) ALDH1A1HTTRECQLTDP1EGFR
SCHEMBL24629506 0.73 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1HTTRECQLTDP1
SCHEMBL6512204 0.72 AR (0.40) USP2SMN1; SMN2ALDH1A1HTTRECQL
SCHEMBL1921482 0.72 KIF11 (0.70) KIF11SMN1; SMN2ALDH1A1TP53GAA
SCHEMBL24865750 0.72 HTT (0.46) SMN1; SMN2ALDH1A1HTTRECQLTP53
SCHEMBL30336849 0.72 HTT (0.46) SMN1; SMN2ALDH1A1HTTRECQLTP53
SCHEMBL394991 0.72 KIF11 (0.70) KIF11SMN1; SMN2ALDH1A1HTTGAA

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-1363897-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2003-11-26 EP claimed
WO-2002070509-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2002-09-12 WO claimed