SCHEMBL7985659

SCHEMBL7985659

CCCCOC(=O)NC(=N)c1cc[c]cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.45
SMN1; SMN2 Q16637 9/20 0.45
NPC1 O15118 8/20 0.45
HPGD P15428 7/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
CASP1 P29466 1/20 0.45
LMNA P02545 4/20 0.43
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
MCL1 Q07820 1/20 0.42
CYP1A2 P05177 5/20 0.41
CYP2C19 P33261 5/20 0.41
TSHR P16473 3/20 0.41
ESR1 P03372 1/20 0.41
CYP2D6 P10635 1/20 0.41
NR1H2 P55055 1/20 0.41
RNASEL Q05823 1/20 0.41
MASP2 O00187 1/20 0.41

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
SCHEMBL7992455 0.96 NPC1 (0.44) RAB9ASMN1; SMN2NPC1HPGDL3MBTL1
SCHEMBL7985754 0.94 EPHX1 (0.46) RAB9ASMN1; SMN2NPC1HPGDL3MBTL1
SCHEMBL7974801 0.92 SMN1; SMN2 (0.39) RAB9ASMN1; SMN2NPC1HPGDL3MBTL1
SCHEMBL7992134 0.91 SMN1; SMN2 (0.42) RAB9ASMN1; SMN2NPC1HPGDL3MBTL1
SCHEMBL7975316 0.86 SMN1; SMN2 (0.36) RAB9ASMN1; SMN2NPC1HPGDL3MBTL1
SCHEMBL7988689 0.85 ALDH1A1 (0.39) SMN1; SMN2HPGDKDM4EALDH1A1CYP1A2
SCHEMBL7975413 0.84 SMN1; SMN2 (0.40) RAB9ASMN1; SMN2NPC1HPGDLMNA
SCHEMBL7988673 0.84 TSHR (0.38) RAB9ASMN1; SMN2NPC1HPGDCASP1
SCHEMBL7988710 0.84 L3MBTL1 (0.38) SMN1; SMN2L3MBTL1LMNAKDM4EALDH1A1
SCHEMBL7986382 0.84 FAAH (0.53) SMN1; SMN2NPC1LMNAMAPK1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed