SCHEMBL14535384

SCHEMBL14535384

Cc1cccc(Cn2cc(C(=O)c3ccccc3NCCO)c(=O)c3ccccc32)n1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.52
CNR2 P34972 11/20 0.49
TP53 P04637 2/20 0.45
SLC22A12 Q96S37 1/20 0.41
LMNA P02545 2/20 0.40
CNR1 P21554 1/20 0.40
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 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
SCHEMBL14535385 0.84 ACKR3 (0.62) ACKR3CNR2TP53LMNA
SCHEMBL14535539 0.83 CNR2 (0.58) ACKR3CNR2TP53LMNA
SCHEMBL13068981 0.83 ACKR3 (0.55) ACKR3CNR2TP53
SCHEMBL13069478 0.82 ACKR3 (0.57) ACKR3CNR2TP53LMNASAE1
SCHEMBL1072749 0.82 ACKR3 (0.62) ACKR3CNR2TP53LMNACNR1
SCHEMBL1074238 0.82 ACKR3 (0.57) ACKR3CNR2TP53LMNACNR1
SCHEMBL12706975 0.82 ACKR3 (0.57) ACKR3CNR2TP53LMNASAE1
SCHEMBL13069039 0.80 ACKR3 (0.55) ACKR3CNR2TP53LMNASAE1
SCHEMBL1022698 0.80 LMNA (0.63) ACKR3CNR2TP53LMNA
SCHEMBL1076030 0.79 ACKR3 (0.62) ACKR3CNR2TP53

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