SCHEMBL14535532

SCHEMBL14535532

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

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.59
POLB P06746 1/20 0.59
MAPT P10636 3/20 0.58
ACKR3 P25106 1/20 0.57
CHRM1 P11229 1/20 0.56
LMNA P02545 3/20 0.55
ALDH1A1 P00352 2/20 0.53
TP53 P04637 4/20 0.53
CNR2 P34972 1/20 0.47

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
SCHEMBL14535523 0.90 MAPT (0.58) SMN1; SMN2POLBMAPTACKR3CHRM1
SCHEMBL1075259 0.88 ACKR3 (0.73) SMN1; SMN2POLBMAPTACKR3CHRM1
SCHEMBL13069467 0.87 ACKR3 (0.56) SMN1; SMN2POLBMAPTACKR3CHRM1
SCHEMBL13068971 0.86 ACKR3 (0.57) SMN1; SMN2POLBMAPTACKR3LMNA
SCHEMBL14535521 0.86 ACKR3 (0.57) SMN1; SMN2POLBMAPTACKR3LMNA
SCHEMBL12707269 0.85 ACKR3 (0.56) SMN1; SMN2POLBMAPTACKR3LMNA
SCHEMBL13068963 0.85 ACKR3 (0.56) SMN1; SMN2POLBMAPTACKR3TP53
SCHEMBL13069581 0.85 ACKR3 (0.55) SMN1; SMN2POLBMAPTACKR3LMNA
SCHEMBL12707248 0.84 ACKR3 (0.79) SMN1; SMN2POLBMAPTACKR3TP53
SCHEMBL14535570 0.83 ACKR3 (0.58) SMN1; SMN2POLBMAPTACKR3CHRM1

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