SCHEMBL6205994

SCHEMBL6205994

C=C(C(=O)OOc1ccccc1Cl)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.48
ATM Q13315 2/20 0.48
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HPGD P15428 3/20 0.41
NPC1 O15118 3/20 0.41
TP53 P04637 2/20 0.41
XBP1 P17861 2/20 0.41
MITF O75030 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
CXCL8 P10145 1/20 0.40
HTT P42858 1/20 0.38
LMNA P02545 4/20 0.37
F2 P00734 1/20 0.37

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
SCHEMBL6206401 0.89 ATM (0.44) TDP1ATMMEN1KMT2ARAB9A
SCHEMBL6204759 0.81 TDP1 (0.51) TDP1ATMMEN1KMT2ARAB9A
SCHEMBL6208230 0.81 ATM (0.48) TDP1ATMMEN1KMT2ARAB9A
SCHEMBL6206638 0.81 ATM (0.48) TDP1ATMMEN1KMT2ARAB9A
SCHEMBL6206051 0.81 TDP1 (0.48) TDP1ATMMEN1KMT2ASMN1; SMN2
SCHEMBL6206062 0.81 ATM (0.51) TDP1ATMMEN1KMT2ARAB9A
SCHEMBL27799823 0.80 MEN1 (0.38) TDP1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL9124237 0.78 TDP1 (0.53) TDP1ATMMEN1KMT2ASMN1; SMN2
SCHEMBL6204946 0.78 ATM (0.49) TDP1ATMMEN1KMT2ASMN1; SMN2
SCHEMBL6204389 0.78 ATM (0.46) TDP1ATMMEN1KMT2ARAB9A

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-1532128-A1 INHIBITORS OF HCV NS5B POLYMERASE Pharmacia & Upjohn Company LLC (US) 2005-05-25 EP disclosed
WO-2004002977-A1 INHIBITORS OF HCV NS5B POLYMERASE PHARMACIA & UPJOHN COMPANY LLC (US) 2004-01-08 WO disclosed