SCHEMBL7974910

SCHEMBL7974910

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 1/20 0.36
CA12 O43570 4/20 0.36
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA7 P43166 4/20 0.36
CA9 Q16790 4/20 0.36
CA14 Q9ULX7 4/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 2/20 0.35
KCNJ11 Q14654 1/20 0.35
TUBB4A P04350 2/20 0.33
TUBB P07437 2/20 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
SCHEMBL6564601 0.86 ALDH1A1 (0.37) HPGDSMN1; SMN2CA12CA1CA2
SCHEMBL20118547 0.80 LMNA (0.41) HPGDNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL7986464 0.80 MASP2 (0.40) SMN1; SMN2CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL7988767 0.79 ALDH1A1 (0.35) HPGDNPC1RAB9ASMN1; SMN2HTT
SCHEMBL7986256 0.79 NFKB1 (0.36) NPC1RAB9ASMN1; SMN2
SCHEMBL7988689 0.79 ALDH1A1 (0.39) HPGDSMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL7985973 0.78 HSD17B10 (0.31)
SCHEMBL7975780 0.77 EPHX1 (0.32) SMN1; SMN2ALDH1A1LMNA
SCHEMBL10817380 0.77 PRSS1 (0.33) CYP1A2KMT2A
SCHEMBL7992134 0.76 SMN1; SMN2 (0.42) HPGDNPC1RAB9ASMN1; SMN2KDM4E

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