SCHEMBL7992447

SCHEMBL7992447

CC(C)(C)C(=O)NC(=N)c1cc[c]cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 4/20 0.36
LMNA P02545 3/20 0.36
ALDH1A1 P00352 7/20 0.35
MAPT P10636 2/20 0.35
ALOX12 P18054 5/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
KDM4E B2RXH2 7/20 0.34
HTT P42858 4/20 0.34
RAB9A P51151 3/20 0.34
NPC1 O15118 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
AGTR1 P30556 1/20 0.34
POLB P06746 1/20 0.34
RECQL P46063 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL7975780 0.79 EPHX1 (0.32) GAALMNAALDH1A1SMN1; SMN2
SCHEMBL7986256 0.78 NFKB1 (0.36) MAPTSMN1; SMN2RAB9ANPC1RECQL
SCHEMBL6564601 0.78 ALDH1A1 (0.37) LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL10817380 0.76 PRSS1 (0.33) KMT2APOLBRECQLCYP1A2
SCHEMBL7975385 0.75 SMN1; SMN2 (0.38) GAALMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL7992377 0.75 ALDH1A1 (0.33) ALDH1A1
SCHEMBL7974910 0.72 HPGD (0.38) LMNAALDH1A1SMN1; SMN2KDM4EHTT
SCHEMBL7988218 0.72 HPGD (0.40) L3MBTL1GAALMNAALDH1A1MAPT
SCHEMBL7989442 0.71 CTSK (0.30)
SCHEMBL7989494 0.71 ELANE (0.32) GAAMAPTMEN1KMT2APOLB

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