SCHEMBL11706609

SCHEMBL11706609

Cc1cc2nc(NC(=O)c3cccc(Cl)c3)[nH]c2cc1C

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.72
RAB9A P51151 8/20 0.72
MEN1 O00255 4/20 0.72
KMT2A Q03164 4/20 0.72
IRAK4 Q9NWZ3 4/20 0.69
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
PKM P14618 1/20 0.52
TUBB4A P04350 1/20 0.51
TUBB P07437 1/20 0.51
TUBA3C P0DPH7 1/20 0.51
TUBA1B P68363 1/20 0.51

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
SCHEMBL11701941 0.91 IRAK4 (0.76) NPC1RAB9AMEN1KMT2AIRAK4
SCHEMBL11705956 0.86 IRAK4 (0.69) NPC1RAB9AMEN1KMT2AIRAK4
SCHEMBL2248250 0.84 NPC1 (1.00) NPC1RAB9AMEN1KMT2AIRAK4
SCHEMBL31329345 0.82 NPC1 (0.74) NPC1RAB9AMEN1KMT2AIRAK4
SCHEMBL3595615 0.81 IRAK4 (1.00) NPC1RAB9AMEN1KMT2AIRAK4
SCHEMBL1973147 0.81 IRAK4 (0.58) NPC1RAB9AMEN1KMT2AIRAK4
SCHEMBL11700747 0.81 NPC1 (0.69) NPC1RAB9AMEN1KMT2AIRAK4
SCHEMBL16766086 0.80 CSNK1E (0.74) NPC1RAB9AMEN1KMT2AIRAK4
SCHEMBL27756403 0.78 IRAK4 (0.56) NPC1RAB9AMEN1KMT2AIRAK4
SCHEMBL11707745 0.77 NPC1 (0.71) NPC1RAB9AMEN1KMT2AIRAK4

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
US-4011236-A N-(BENZIMIDAZOL-2-YL)ARYLCARBOXAMIDES AS ULTRAVIOLET (UV) LIGHT ABSORBERS MERCK & CO., INC. (US) 1977-03-08 US disclosed