SCHEMBL7089570

SCHEMBL7089570

CN(Cc1cc(C(F)(F)F)ccc1Oc1ccccc1C(=O)O)c1ccc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 15/20 0.61
TSHR P16473 4/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL7087880 0.88 SERPINE1 (0.57) SERPINE1TSHRTP53
SCHEMBL7088122 0.81 SERPINE1 (0.59) SERPINE1TSHRLMNASMN1; SMN2USP2
SCHEMBL7088384 0.79 SERPINE1 (0.56) SERPINE1TSHRLMNAMAPTSMN1; SMN2
SCHEMBL7089125 0.76 SERPINE1 (1.00) SERPINE1
SCHEMBL7089626 0.73 SERPINE1 (0.51) SERPINE1LMNAMAPTHTTSMN1; SMN2
SCHEMBL7084544 0.73 SERPINE1 (0.59) SERPINE1POLB
SCHEMBL7087929 0.71 SERPINE1 (0.67) SERPINE1LMNAMAPTHTTMEN1
SCHEMBL7089111 0.71 SERPINE1 (0.72) SERPINE1TSHRLMNAMAPTHTT
SCHEMBL7084183 0.70 SERPINE1 (1.00) SERPINE1TSHRLMNAHTT
SCHEMBL7091877 0.68 SERPINE1 (0.62) SERPINE1TSHRLMNAMAPTHTT

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-2003080060-A1 SUBSTITUTED PIPERAZINE ANTITHROMBOTIC PAI-1 INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-02 WO disclosed