SCHEMBL7985688

SCHEMBL7985688

CCCCOC(=O)NC(=N)c1cc[c]c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.46
HPGD P15428 7/20 0.46
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 8/20 0.44
NPC1 O15118 7/20 0.44
CYP1A2 P05177 4/20 0.44
CYP2C19 P33261 4/20 0.44
CYP2C9 P11712 2/20 0.44
L3MBTL1 Q9Y468 4/20 0.42
CASP1 P29466 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
MCL1 Q07820 1/20 0.40
TSHR P16473 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TP53 P04637 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36

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
SCHEMBL7992358 0.93 HPGD (0.44) RAB9AHPGDLMNASMN1; SMN2NPC1
SCHEMBL7989160 0.87 KDM4E (0.40) RAB9AHPGDLMNASMN1; SMN2NPC1
SCHEMBL7975142 0.83 HPGD (0.32) HPGDLMNAALDH1A1KDM4E
SCHEMBL7985659 0.82 RAB9A (0.45) RAB9AHPGDLMNASMN1; SMN2NPC1
SCHEMBL7992455 0.78 NPC1 (0.44) RAB9AHPGDLMNASMN1; SMN2NPC1
SCHEMBL7985754 0.77 EPHX1 (0.46) RAB9AHPGDLMNASMN1; SMN2NPC1
SCHEMBL7988847 0.77 RAB9A (0.43) RAB9AHPGDLMNASMN1; SMN2NPC1
SCHEMBL7986786 0.76
SCHEMBL7974801 0.75 SMN1; SMN2 (0.39) RAB9AHPGDLMNASMN1; SMN2NPC1
SCHEMBL7989636 0.74 KDM4E (0.39) HPGDSMN1; SMN2NPC1CYP1A2CYP2C19

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