SCHEMBL7974849

SCHEMBL7974849

CCCOC(=O)NC(=N)c1cc[c]cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPK1 P28482 2/20 0.35
HPGD P15428 3/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
TP53 P04637 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 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
SCHEMBL7975476 0.92 RAB9A (0.40) SMN1; SMN2ALDH1A1MAPK1HPGDNPC1
SCHEMBL7990319 0.89 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1MAPK1HPGDNPC1
SCHEMBL7986794 0.85 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL7989755 0.81
SCHEMBL7975327 0.80 LMNA (0.44) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL7992134 0.79 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1MAPK1HPGDNPC1
SCHEMBL132203 0.79 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1MAPK1HPGDNPC1
SCHEMBL7989368 0.77 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1MAPK1KMT2APOLB
SCHEMBL7975913 0.75 CCNE1 (0.37) ALDH1A1NPC1RAB9ATP53MEN1
SCHEMBL7985240 0.74 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1MAPK1HPGDNPC1

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