SCHEMBL7252201

SCHEMBL7252201

COc1ccc2c(=O)c(C(=O)O)cn(CC(=O)Nc3ccc(Cl)cc3)c2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.66
GAA P10253 2/20 0.66
KMT2A Q03164 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
TP53 P04637 2/20 0.60
POLB P06746 5/20 0.58
RXFP1 Q9HBX9 4/20 0.56
TUBB4A P04350 1/20 0.55
TUBB P07437 1/20 0.55
TUBA3C P0DPH7 1/20 0.55
TUBA1B P68363 1/20 0.55
TUBA4A P68366 1/20 0.55
TUBB4B P68371 1/20 0.55
TUBB3 Q13509 1/20 0.55
TUBB2A Q13885 1/20 0.55
TUBB8 Q3ZCM7 1/20 0.55
TUBA3E Q6PEY2 1/20 0.55
TUBA1A Q71U36 1/20 0.55
TUBA1C Q9BQE3 1/20 0.55
TUBB6 Q9BUF5 1/20 0.55

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
SCHEMBL7252207 0.92 MAPT (0.77) MAPTGAAKMT2ANPSR1TP53
SCHEMBL7252162 0.91 MAPT (0.65) MAPTGAAKMT2ANPSR1TP53
SCHEMBL7252168 0.89 MAPT (0.57) MAPTGAAKMT2ANPSR1TP53
SCHEMBL15410142 0.85 MAPT (0.68) MAPTGAAKMT2ANPSR1TP53
SCHEMBL7252736 0.83 MAPT (0.76) MAPTGAAKMT2ANPSR1TP53
SCHEMBL7252222 0.82 MAPT (0.67) MAPTGAAKMT2ANPSR1TP53
SCHEMBL7252752 0.81 ALDH1A1 (0.64) MAPTGAATP53TDP1SMN1; SMN2
SCHEMBL15409572 0.81 TUBB4A (0.83) MAPTGAAKMT2ANPSR1TP53
SCHEMBL15426023 0.81 MAPT (0.75) MAPTGAAKMT2ANPSR1TP53
SCHEMBL15410638 0.78 MAPT (0.78) MAPTGAAKMT2ANPSR1TP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003010147-A1 ACIDIC QUINOLONE DERIVATIVES MERCK PATENT GMBH (DE) 2003-02-06 WO claimed
WO-2003010147-A1 ACIDIC QUINOLONE DERIVATIVES MERCK PATENT GMBH (DE) 2003-02-06 WO disclosed