SCHEMBL13068971

SCHEMBL13068971

Bc1cccc(Cn2cc(C(=O)c3ccc(SC)cc3)c(=O)c3ccccc32)n1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.57
TP53 P04637 3/20 0.52
CNR2 P34972 9/20 0.47
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL1074105 0.88 ACKR3 (0.73) ACKR3TP53CNR2MAPTPOLB
SCHEMBL14535532 0.86 SMN1; SMN2 (0.59) ACKR3TP53CNR2MAPTPOLB
SCHEMBL14535521 0.86 ACKR3 (0.57) ACKR3TP53CNR2MAPTPOLB
SCHEMBL12707269 0.85 ACKR3 (0.56) ACKR3TP53CNR2MAPTPOLB
SCHEMBL13069581 0.85 ACKR3 (0.55) ACKR3TP53CNR2MAPTPOLB
SCHEMBL12707248 0.84 ACKR3 (0.79) ACKR3TP53CNR2MAPTPOLB
SCHEMBL13069427 0.82 ACKR3 (0.55) ACKR3TP53CNR2MAPTPOLB
SCHEMBL12707290 0.82 ACKR3 (0.55) ACKR3TP53CNR2MAPTPOLB
SCHEMBL13069441 0.82 ACKR3 (0.55) ACKR3TP53CNR2MAPTPOLB
SCHEMBL14535577 0.82 ACKR3 (0.59) ACKR3TP53CNR2MAPTPOLB

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