SCHEMBL10469338

SCHEMBL10469338

CCC(=Nc1ccc2c(c1)sc1cc(N=C(CC)N(C)C)ccc12)N(C)C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.35
NOS1 P29475 3/20 0.35
NOS2 P35228 3/20 0.35
MEN1 O00255 2/20 0.31
MAPT P10636 2/20 0.31
RAB9A P51151 2/20 0.31
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
HIF1A Q16665 1/20 0.31
LMNA P02545 1/20 0.31
IDE P14735 1/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL10513467 0.92 BCKDK (0.34) NOS3NOS1NOS2
SCHEMBL4870613 0.87 NOS3 (0.35) NOS3NOS1NOS2MEN1MAPT
SCHEMBL4865586 0.69 MAOA (0.34) KMT2A
SCHEMBL10341922 0.67 ATM (0.41) NOS3NOS1NOS2MEN1MAPT
SCHEMBL10468020 0.66 NOS3 (0.39) NOS3NOS1NOS2RAB9A
SCHEMBL10341772 0.62 KMT2A (0.40) NOS3NOS1MEN1KMT2AL3MBTL1
SCHEMBL10533408 0.59 ALDH1A1 (0.41) NOS3NOS1NOS2MAPTSMN1; SMN2
SCHEMBL13437908 0.59 RAB9A (0.48) NOS3NOS1NOS2MAPTRAB9A
SCHEMBL10531339 0.59 MAPK1 (0.48) MAPTRAB9ASMN1; SMN2
SCHEMBL10514018 0.58 IAPP (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-4965284-A IMMUNOMODULATORS AMERICAN CYANAMID COMPANY (US) 1990-10-23 US claimed
EP-0342433-A2 Substituted dibenzothiaphenes AMERICAN CYANAMID COMPANY (US) 1989-11-23 EP claimed