SCHEMBL268693

SCHEMBL268693

Cc1ccc(C=NNC(=O)c2cc(Br)ccc2NC(=O)c2ccco2)cc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.58
PKM P14618 6/20 0.58
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
RAB9A P51151 8/20 0.53
KDM4E B2RXH2 9/20 0.50
TUBB8B A6NNZ2 1/20 0.50
EGFR P00533 1/20 0.50
TUBB4A P04350 1/20 0.50
TUBB P07437 1/20 0.50
TUBA3C P0DPH7 1/20 0.50
TUBA1B P68363 1/20 0.50
TUBA4A P68366 1/20 0.50
TUBB4B P68371 1/20 0.50
TUBB3 Q13509 1/20 0.50
TUBB2A Q13885 1/20 0.50
TUBB8 Q3ZCM7 1/20 0.50
TUBA3E Q6PEY2 1/20 0.50
TUBA1A Q71U36 1/20 0.50
TUBA1C Q9BQE3 1/20 0.50

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
SCHEMBL273286 1.00 NPC1 (0.58) NPC1PKMKMT2AMEN1RAB9A
SCHEMBL273871 0.90 NPC1 (0.67) NPC1PKMKMT2AMEN1RAB9A
SCHEMBL266600 0.90 NPC1 (0.67) NPC1PKMKMT2AMEN1RAB9A
SCHEMBL268158 0.89 NPC1 (0.60) NPC1PKMKMT2AMEN1RAB9A
SCHEMBL273256 0.89 NPC1 (0.60) NPC1PKMKMT2AMEN1RAB9A
SCHEMBL273626 0.86 KMT2A (0.62) NPC1PKMKMT2AMEN1RAB9A
SCHEMBL266792 0.86 KMT2A (0.62) NPC1PKMKMT2AMEN1RAB9A
SCHEMBL273869 0.85 NPC1 (0.60) NPC1PKMKMT2AMEN1RAB9A
SCHEMBL265031 0.85 NPC1 (0.60) NPC1PKMKMT2AMEN1RAB9A
SCHEMBL273872 0.84 GAA (0.47) NPC1PKMKMT2AMEN1RAB9A

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-8134015-B2 Compound inhibiting in vivo phosphorous transport and medicine containing the same KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-03-13 US disclosed