SCHEMBL7715864

SCHEMBL7715864

COc1cc(CNC(=O)c2ccc(-c3ccc(F)cc3)cc2)ccc1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.65
DUSP3 P51452 2/20 0.61
POLB P06746 1/20 0.53
KMT2A Q03164 1/20 0.53
PLK4 O00444 1/20 0.52
CHEK1 O14757 1/20 0.52
AURKA O14965 1/20 0.52
MAPK13 O15264 1/20 0.52
PDPK1 O15530 1/20 0.52
DAPK3 O43293 1/20 0.52
DYRK3 O43781 1/20 0.52
RPS6KA5 O75582 1/20 0.52
PRKD3 O94806 1/20 0.52
MAP4K4 O95819 1/20 0.52
CHEK2 O96017 1/20 0.52
EGFR P00533 1/20 0.52
ERBB2 P04626 1/20 0.52
PRKCG P05129 1/20 0.52
CDK1 P06493 1/20 0.52
ROS1 P08922 1/20 0.52

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
SCHEMBL7715851 0.90 SMN1; SMN2 (0.67) SMN1; SMN2DUSP3NPC1RAB9APTPN7
SCHEMBL7715505 0.88 DUSP3 (0.65) SMN1; SMN2DUSP3KMT2APTPN7
SCHEMBL29535608 0.86 PTPN7 (0.64) SMN1; SMN2DUSP3PTPN7
SCHEMBL898500 0.86 PTPN7 (0.64) SMN1; SMN2DUSP3PTPN7
SCHEMBL5065598 0.86 NR1H4 (0.64) SMN1; SMN2DUSP3PTPN7LMNA
SCHEMBL5681720 0.83 ERCC1 (0.69) SMN1; SMN2DUSP3PTPN7
SCHEMBL5065591 0.82 NR1H4 (0.60) SMN1; SMN2KMT2ALMNA
SCHEMBL14082977 0.81 SMN1; SMN2 (0.58) SMN1; SMN2KMT2AGSK3AGSK3BPRKX
SCHEMBL9416663 0.80 NR1H4 (0.64) SMN1; SMN2DUSP3KMT2APTPN7LMNA
SCHEMBL6101468 0.80 ALDH1A1 (0.65)

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
US-6376524-B1 ANTIALLERGENS, ANTIHISTAMINES SUNESIS PHARMACEUTICALS, INC. 2002-04-23 US disclosed
WO-2001098245-A2 TRIPHENYL COMPOUNDS AS INTERLEUKIN-4 ANTAGONISTS SUNESIS PHARMACEUTICALS, INC. (US) 2001-12-27 WO disclosed