SCHEMBL7975385

SCHEMBL7975385

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 8/20 0.37
UBE2N P61088 3/20 0.37
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
GAA P10253 3/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 4/20 0.34
CYP2C19 P33261 2/20 0.34
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 3/20 0.32
AGTR1 P30556 1/20 0.32
OPRK1 P41145 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PLK1 P53350 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL7988218 0.86 HPGD (0.40) ALDH1A1KMT2AMEN1GAALMNA
SCHEMBL7081396 0.81 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1UBE2NKMT2AMEN1
SCHEMBL7975780 0.79 EPHX1 (0.32) SMN1; SMN2ALDH1A1UBE2NGAALMNA
SCHEMBL7988689 0.78 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1GAACYP2C19HPGD
SCHEMBL6564601 0.78 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1LMNAHPGDMAPT
SCHEMBL7993433 0.77 HTT (0.32) SMN1; SMN2ALDH1A1KMT2AHTTCYP2C19
SCHEMBL7992134 0.76 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1KMT2AMEN1LMNA
SCHEMBL10817380 0.76 PRSS1 (0.33) KMT2A
SCHEMBL7992447 0.75 L3MBTL1 (0.38) SMN1; SMN2ALDH1A1KMT2AMEN1GAA
SCHEMBL7985973 0.73 HSD17B10 (0.31)

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