SCHEMBL7774668

SCHEMBL7774668

CCCCCCCCCCCCCCCCCCOC(=O)Nc1ccc(N)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.65
RAB9A P51151 8/20 0.65
SMN1; SMN2 Q16637 7/20 0.65
HPGD P15428 3/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
MAPT P10636 4/20 0.61
ALDH1A1 P00352 3/20 0.61
MAPK1 P28482 2/20 0.61
CASP1 P29466 1/20 0.61
KDM4E B2RXH2 1/20 0.61
MCL1 Q07820 1/20 0.61
TSHR P16473 2/20 0.57
TP53 P04637 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
KMT2A Q03164 1/20 0.54
RELA Q04206 1/20 0.54
PKM P14618 1/20 0.54
CYP1A2 P05177 2/20 0.53
CYP2C9 P11712 2/20 0.53

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
SCHEMBL7774579 1.00 NPC1 (0.65) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1
SCHEMBL6819635 1.00 NPC1 (0.65) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1
SCHEMBL27701440 0.94 RAB9A (0.73) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1
SCHEMBL11133582 0.93 NPC1 (0.58) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1
SCHEMBL11138867 0.93 NPC1 (0.58) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1
SCHEMBL10895369 0.93 NPC1 (0.58) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1
SCHEMBL12411578 0.92 RAB9A (0.69) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1
SCHEMBL8378649 0.88 NPC1 (0.69) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1
SCHEMBL12723978 0.88 TSHR (0.67) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1
SCHEMBL2070195 0.87 SMN1; SMN2 (0.71) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832757-B1 REVERSIBLE THERMAL RECORDING MEDIUM OJI PAPER CO (JP) 2001-08-22 EP disclosed
US-5928988-A CONTAINING SULFONYLUREA COLOR DEVELOPER OJI PAPER CO., LTD. (JP) 1999-07-27 US disclosed
EP-0832757-A1 REVERSIBLE THERMAL RECORDING MEDIUM Oji Paper Co., Ltd. (JP) 1998-04-01 EP disclosed