SCHEMBL7986173

SCHEMBL7986173

CCCc1ccc(OC(=O)NC(=N)c2cc[c]cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.46
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
PLA2G1B P04054 1/20 0.40
KMT2A Q03164 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
PLK1 P53350 1/20 0.39
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
CASP3 P42574 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
FAAH O00519 4/20 0.37

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
SCHEMBL7989584 0.93 THRB (0.44) THRBALDH1A1MAPTNFKB1NFKB2
SCHEMBL7993033 0.90 RAB9A (0.48) ALDH1A1MAPTPLK1RAB9ANPC1
SCHEMBL7986382 0.85 FAAH (0.53) NPC1SMN1; SMN2FAAH
SCHEMBL7985763 0.85 FAAH (0.47) MAPTKMT2APLK1SMN1; SMN2FAAH
SCHEMBL7975491 0.85 PTGS2 (0.41) NFKB1RAB9ANPC1
SCHEMBL7974855 0.84 KMT2A (0.43) ALDH1A1KMT2APLK1RAB9ANPC1
SCHEMBL7985699 0.82 FAAH (0.51) NFKB1NFKB2RELANPC1SMN1; SMN2
SCHEMBL7988304 0.82 SMN1; SMN2 (0.44) ALDH1A1PLK1RAB9ANPC1SMN1; SMN2
SCHEMBL7989521 0.82 LMNA (0.42) ALDH1A1NFKB1NFKB2RELAKMT2A
SCHEMBL7985660 0.81 FAAH (0.52) NFKB1NFKB2RELANPC1SMN1; SMN2

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