SCHEMBL28069935

SCHEMBL28069935

NCc1cc(F)cc(-c2ccccn2)c1.Nc1ccc(Cl)cc1CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 5/20 0.38
▸ KAT6A Q92794 2/20 0.38
▸ F11 P03951 2/20 0.36
▸ TPSB2 P20231 2/20 0.36
▸ PLAU P00749 2/20 0.36
▸ PLG P00747 1/20 0.36
▸ KLKB1 P03952 1/20 0.36
▸ F7 P08709 1/20 0.36
▸ GRM5 P41594 3/20 0.36
▸ F2 P00734 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ SUCNR1 Q9BXA5 1/20 0.35
▸ THRA P10827 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ KAT7 O95251 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ METAP2 P50579 1/20 0.35
▸ KAT6B Q8WYB5 1/20 0.35
▸ KAT5 Q92993 1/20 0.35
▸ NPC1 O15118 1/20 0.34

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
SCHEMBL28069921 0.84 CFD (0.42) CFDKAT6AF11TPSB2PLAU
SCHEMBL16396602 0.74 CFD (0.63) CFDF11TPSB2GRM5SUCNR1
SCHEMBL29957277 0.71 KEAP1 (0.50) LMNAMAPTHTTSMN1; SMN2TDP1
SCHEMBL6950315 0.71 KEAP1 (0.50) LMNAMAPTHTTSMN1; SMN2TDP1
SCHEMBL16397161 0.69 CFD (0.78) CFDF11TPSB2SUCNR1
SCHEMBL16397300 0.67 CFD (0.59) CFDF11TPSB2PLAUSUCNR1
SCHEMBL28069940 0.66 CFD (0.68) CFDF11TPSB2PLAUSUCNR1
SCHEMBL31457035 0.66 TAAR1 (0.39) —
SCHEMBL3320901 0.65 MAPT (0.51) GRM5NPC1LMNAMAPTHTT
SCHEMBL4688780 0.64 FFAR1 (0.60) KAT6ACNR1LMNAHTTFFAR1

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
CN-105555766-A Aminomethyl-biaryl derivatives as complement factor D inhibitors and uses thereof NOVARTIS AG 2016-05-04 — — CN disclosed
Send feedback