SCHEMBL14535523

SCHEMBL14535523

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

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
ACKR3 P25106 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.55
POLB P06746 3/20 0.55
LMNA P02545 3/20 0.54
ALDH1A1 P00352 2/20 0.54
RXFP1 Q9HBX9 1/20 0.49
CHRM1 P11229 1/20 0.49
TP53 P04637 4/20 0.49
CNR2 P34972 1/20 0.46

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
SCHEMBL14535532 0.90 SMN1; SMN2 (0.59) MAPTACKR3SMN1; SMN2POLBLMNA
SCHEMBL1072679 0.89 ACKR3 (0.73) MAPTACKR3SMN1; SMN2POLBLMNA
SCHEMBL14535577 0.86 ACKR3 (0.59) MAPTACKR3SMN1; SMN2POLBLMNA
SCHEMBL13068963 0.85 ACKR3 (0.56) MAPTACKR3SMN1; SMN2POLBTP53
SCHEMBL12707248 0.85 ACKR3 (0.79) MAPTACKR3SMN1; SMN2POLBTP53
SCHEMBL13069467 0.83 ACKR3 (0.56) MAPTACKR3SMN1; SMN2POLBLMNA
SCHEMBL14535570 0.83 ACKR3 (0.58) MAPTACKR3SMN1; SMN2POLBLMNA
SCHEMBL12707164 0.81 ACKR3 (0.62) MAPTACKR3SMN1; SMN2POLBLMNA
SCHEMBL12707261 0.81 ACKR3 (0.58) MAPTACKR3SMN1; SMN2POLBLMNA
SCHEMBL13068971 0.81 ACKR3 (0.57) MAPTACKR3SMN1; SMN2POLBLMNA

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