SCHEMBL269535

SCHEMBL269535

Cc1ccc(C=NNC(=O)c2cc(Br)ccc2NC(=O)c2ccccn2)cc1C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
OPRK1 P41145 2/20 0.51
NPC1 O15118 14/20 0.51
RAB9A P51151 13/20 0.51
GAA P10253 6/20 0.50
PKM P14618 5/20 0.50
MAPT P10636 4/20 0.50
POLB P06746 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
GFER P55789 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
LMNA P02545 1/20 0.47

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
SCHEMBL274295 1.00 MEN1 (0.51) MEN1KMT2AOPRK1NPC1RAB9A
SCHEMBL273957 0.91 NPC1 (0.55) MEN1KMT2AOPRK1NPC1RAB9A
SCHEMBL267031 0.91 NPC1 (0.55) MEN1KMT2AOPRK1NPC1RAB9A
Hydrochloric Acid SCHEMBL265826 0.90 NPC1 (0.54) MEN1KMT2AOPRK1NPC1RAB9A
SCHEMBL265842 0.89 NPC1 (0.53) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL273516 0.89 NPC1 (0.53) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL269258 0.89 NPC1 (0.55) MEN1KMT2AOPRK1NPC1RAB9A
SCHEMBL273690 0.89 NPC1 (0.55) MEN1KMT2AOPRK1NPC1RAB9A
SCHEMBL268992 0.88 RAB9A (0.57) MEN1KMT2AOPRK1NPC1RAB9A
SCHEMBL274137 0.88 RAB9A (0.57) MEN1KMT2AOPRK1NPC1RAB9A

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