SCHEMBL3886865

SCHEMBL3886865

O=C(O)C1Cc2ccccc2C(=O)C(C(=O)O)C1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ACHE P22303 5/20 0.46
METAP1 P53582 4/20 0.40
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
CYP19A1 P11511 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C1 Q04828 1/20 0.37
EDNRB P24530 1/20 0.37
EDNRA P25101 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 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
SCHEMBL30702212 0.84 MAPT (0.56) SMN1; SMN2KDM4EMEN1MAPTKMT2A
SCHEMBL3948845 0.84 MAPT (0.56) SMN1; SMN2KDM4EMEN1MAPTKMT2A
SCHEMBL2246351 0.79 SMN1; SMN2 (0.55) SMN1; SMN2MAPTACHELMNARAB9A
SCHEMBL8370379 0.78 ALDH1A1 (0.42) SMN1; SMN2MEN1MAPTKMT2AAKR1C3
SCHEMBL5659127 0.76 SMN1; SMN2 (0.53) SMN1; SMN2KDM4EMAPTACHELMNA
SCHEMBL5660492 0.76 SMN1; SMN2 (0.53) SMN1; SMN2KDM4EMAPTACHELMNA
SCHEMBL1992671 0.76 SMN1; SMN2 (0.53) SMN1; SMN2KDM4EMAPTACHELMNA
SCHEMBL23618751 0.75 MAPT (0.70) SMN1; SMN2KDM4EMEN1MAPTKMT2A
SCHEMBL8021509 0.75 ACHE (0.54) SMN1; SMN2KDM4EMEN1MAPTKMT2A
SCHEMBL5311960 0.73 KMT2A (0.55) SMN1; SMN2KDM4EMEN1MAPTKMT2A

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-2078010-A2 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2009-07-15 EP disclosed
WO-2008083367-A2 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-07-10 WO disclosed