SCHEMBL7975413

SCHEMBL7975413

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
THRB P10828 1/20 0.34
CTSK P43235 2/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
MASP2 O00187 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
THRA P10827 1/20 0.32
MAPK1 P28482 1/20 0.31

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 0.90 SMN1; SMN2 (0.36) SMN1; SMN2TSHRALDH1A1HPGDNPC1
SCHEMBL7974801 0.88 SMN1; SMN2 (0.39) SMN1; SMN2TSHRALDH1A1HPGDNPC1
SCHEMBL7992134 0.87 SMN1; SMN2 (0.42) SMN1; SMN2TSHRALDH1A1HPGDNPC1
SCHEMBL7988689 0.87 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1HPGDTHRBGAA
SCHEMBL7993344 0.86 MASP2 (0.33) SMN1; SMN2TSHRALDH1A1MASP2LMNA
SCHEMBL7988673 0.86 TSHR (0.38) SMN1; SMN2TSHRALDH1A1HPGDNPC1
SCHEMBL7985659 0.84 RAB9A (0.45) SMN1; SMN2TSHRALDH1A1HPGDNPC1
SCHEMBL7992455 0.83 NPC1 (0.44) SMN1; SMN2TSHRALDH1A1HPGDNPC1
SCHEMBL20118448 0.83 LMNA (0.46) SMN1; SMN2TSHRALDH1A1HPGDNPC1
SCHEMBL7988767 0.83 ALDH1A1 (0.35) SMN1; SMN2TSHRALDH1A1HPGDNPC1

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