SCHEMBL14535577

SCHEMBL14535577

Bc1cccc(Cn2cc(C(=O)c3cccc(C(=O)O)c3)c(=O)c3ccccc32)n1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.59
CNR2 P34972 6/20 0.51
TP53 P04637 2/20 0.51
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 1/20 0.43

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
SCHEMBL1549341 0.88 ACKR3 (0.75) ACKR3CNR2TP53LMNAPOLB
SCHEMBL13069584 0.88 ACKR3 (0.64) ACKR3CNR2TP53LMNAPOLB
SCHEMBL13069127 0.88 CNR2 (0.58) ACKR3CNR2TP53LMNA
SCHEMBL14535523 0.86 MAPT (0.58) ACKR3CNR2TP53LMNAPOLB
SCHEMBL12707248 0.86 ACKR3 (0.79) ACKR3CNR2TP53POLBSMN1; SMN2
SCHEMBL12707261 0.84 ACKR3 (0.58) ACKR3CNR2TP53LMNAPOLB
SCHEMBL13069581 0.83 ACKR3 (0.55) ACKR3CNR2TP53LMNAPOLB
SCHEMBL12707164 0.82 ACKR3 (0.62) ACKR3CNR2TP53LMNAPOLB
SCHEMBL12707290 0.82 ACKR3 (0.55) ACKR3CNR2TP53LMNAPOLB
SCHEMBL14535532 0.82 SMN1; SMN2 (0.59) ACKR3CNR2TP53LMNAPOLB

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
WO-2007059108-A2 SUBSTITUTED QUINOLONES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-05-24 WO disclosed