SCHEMBL7992134

SCHEMBL7992134

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.42
ALDH1A1 P00352 5/20 0.42
MAPK1 P28482 2/20 0.42
HPGD P15428 5/20 0.40
MASP2 O00187 2/20 0.39
LMNA P02545 2/20 0.39
ESR1 P03372 1/20 0.38
CHRM1 P11229 1/20 0.38
TSHR P16473 1/20 0.38
SLC6A2 P23975 1/20 0.38
KDR P35968 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 2/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2A1 P68400 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
NPC1 O15118 4/20 0.35

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
SCHEMBL7975316 0.92 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1MAPK1HPGDMASP2
SCHEMBL7985659 0.91 RAB9A (0.45) SMN1; SMN2ALDH1A1MAPK1HPGDMASP2
SCHEMBL7992455 0.90 NPC1 (0.44) SMN1; SMN2ALDH1A1MAPK1HPGDLMNA
SCHEMBL7985754 0.89 EPHX1 (0.46) SMN1; SMN2ALDH1A1MAPK1HPGDLMNA
SCHEMBL7988689 0.88 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1HPGDMASP2KDM4E
SCHEMBL7975413 0.87 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1MAPK1HPGDMASP2
SCHEMBL7988673 0.87 TSHR (0.38) SMN1; SMN2ALDH1A1HPGDMASP2LMNA
SCHEMBL7974801 0.86 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1MAPK1HPGDMASP2
SCHEMBL7988767 0.84 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1MAPK1HPGDMASP2
SCHEMBL7989592 0.84 MASP2 (0.33) SMN1; SMN2HPGDMASP2NPC1RAB9A

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