SCHEMBL13069583

SCHEMBL13069583

Bc1cccc(Cn2cc(C(=O)c3ccc(OC)c(OC)c3)c(=O)c3cccnc32)n1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.44
TP53 P04637 3/20 0.44
GAA P10253 2/20 0.43
RXFP1 Q9HBX9 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 7/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
POLB P06746 2/20 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
SCHEMBL1074788 0.90 ACKR3 (0.56) ACKR3TP53GAARXFP1TDP1
SCHEMBL13762949 0.84 ACKR3 (0.50) ACKR3TP53RXFP1TDP1MAPT
SCHEMBL13762948 0.83 MAPT (0.48) ACKR3TP53RXFP1TDP1MAPT
SCHEMBL13762953 0.83 THRB (0.46) ACKR3TP53GAARXFP1MAPT
SCHEMBL1549596 0.83 ACKR3 (0.62) ACKR3TP53RXFP1MAPTCNR1
SCHEMBL13762954 0.82 ACKR3 (0.54) ACKR3TP53RXFP1MAPTCNR1
SCHEMBL13762956 0.82 ACKR3 (0.54) ACKR3TP53GAARXFP1MAPT
SCHEMBL1074684 0.81 ACKR3 (0.47) ACKR3TP53RXFP1MAPTPOLB
SCHEMBL3399997 0.81 ACKR3 (0.47) ACKR3TP53GAARXFP1MAPT
SCHEMBL13068963 0.79 ACKR3 (0.56) ACKR3TP53GAAMAPTCNR2

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