SCHEMBL342928

SCHEMBL342928

Bc1c(Cc2ccc(F)cc2)cnc(C(=O)OC(C)C)c1NCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
ACHE P22303 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 2/20 0.35
CASP3 P42574 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
CCR6 P51684 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
TSHR P16473 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
SCHEMBL12358988 0.91 POLB (0.38) POLBACHENPSR1NPC1RAB9A
SCHEMBL342076 0.78 NPSR1 (0.41) NPSR1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL338481 0.73 NPSR1 (0.47) NPSR1SMN1; SMN2KMT2ALMNAMAPT
SCHEMBL12359000 0.72 KMT2A (0.36) POLBACHENPSR1KMT2AALDH1A1
SCHEMBL12373146 0.72 NPSR1 (0.39) NPSR1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL12359001 0.72 POLB (0.35) POLBACHENPSR1KMT2AALDH1A1
SCHEMBL5546530 0.71 ALDH1A1 (0.45) POLBACHENPSR1NPC1RAB9A
SCHEMBL348276 0.70 NPSR1 (0.42) POLBNPSR1KMT2AALDH1A1LMNA
SCHEMBL338765 0.69 NPSR1 (0.41) NPSR1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL12306124 0.69 NPSR1 (0.41) NPSR1NPC1RAB9ASMN1; SMN2KMT2A

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
EP-2321319-B1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES INC (US) 2012-03-14 EP disclosed