SCHEMBL13069039

SCHEMBL13069039

C=Cc1ccccc1C(=O)c1cn(Cc2cccc(C)n2)c2ccccc2c1=O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.55
CNR2 P34972 10/20 0.52
TP53 P04637 3/20 0.47
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 2/20 0.40
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40

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
SCHEMBL14535385 0.87 ACKR3 (0.62) ACKR3CNR2TP53LMNAPOLB
SCHEMBL14535539 0.86 CNR2 (0.58) ACKR3CNR2TP53LMNA
SCHEMBL1072749 0.85 ACKR3 (0.62) ACKR3CNR2TP53LMNAPOLB
SCHEMBL12706975 0.85 ACKR3 (0.57) ACKR3CNR2TP53LMNAPOLB
SCHEMBL13069478 0.85 ACKR3 (0.57) ACKR3CNR2TP53LMNAPOLB
SCHEMBL1074238 0.85 ACKR3 (0.57) ACKR3CNR2TP53LMNAPOLB
SCHEMBL13068981 0.83 ACKR3 (0.55) ACKR3CNR2TP53POLBSMN1; SMN2
SCHEMBL1022698 0.82 LMNA (0.63) ACKR3CNR2TP53LMNA
SCHEMBL1076030 0.81 ACKR3 (0.62) ACKR3CNR2TP53POLBSMN1; SMN2
SCHEMBL14535384 0.80 ACKR3 (0.52) ACKR3CNR2TP53LMNASAE1

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-1954274-B1 SUBSTITUTED QUINOLONES AND METHODS OF USE CHEMOCENTRYX INC (US) 2010-11-03 EP disclosed
WO-2007059108-A2 SUBSTITUTED QUINOLONES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-05-24 WO disclosed