SCHEMBL13069458

SCHEMBL13069458

CCCOc1cc2c(cc1C)c(=O)c(C(=O)c1ccc(C)c(C)c1)cn2Cc1cccnc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TP53 P04637 3/20 0.48
GAA P10253 1/20 0.45
ACKR3 P25106 1/20 0.44
THRB P10828 1/20 0.43
KDM4E B2RXH2 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 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
SCHEMBL13069471 0.84 MAPT (0.54) MAPTPOLBSMN1; SMN2TP53GAA
SCHEMBL1024099 0.82 POLB (0.68) MAPTPOLBSMN1; SMN2TP53ACKR3
SCHEMBL1022664 0.80 RXFP1 (0.61) MAPTPOLBSMN1; SMN2TP53
SCHEMBL1020463 0.80 MAPT (0.66) MAPTPOLBSMN1; SMN2TP53THRB
SCHEMBL1074464 0.74 POLB (0.56) MAPTPOLBSMN1; SMN2TP53ACKR3
SCHEMBL12707233 0.73 MAPT (0.60) MAPTPOLBSMN1; SMN2TP53ACKR3
SCHEMBL1021427 0.72 POLB (0.74) MAPTPOLBSMN1; SMN2TP53ACKR3
SCHEMBL1022484 0.70 ACKR3 (0.67) MAPTPOLBSMN1; SMN2TP53ACKR3
SCHEMBL1075232 0.69 MAPT (0.65) MAPTPOLBSMN1; SMN2TP53
SCHEMBL1020485 0.69 MAPT (0.67) MAPTPOLBSMN1; SMN2TP53THRB

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
EP-1954274-B1 SUBSTITUTED QUINOLONES AND METHODS OF USE CHEMOCENTRYX INC (US) 2010-11-03 EP disclosed