SCHEMBL8817341

SCHEMBL8817341

Cc1cn2c(n1)SCC(SC(=O)c1ccccc1)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 9/20 0.38
ADORA1 P30542 1/20 0.38
ADORA2A P29274 4/20 0.36
HSD17B10 Q99714 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
ALDH1A1 P00352 2/20 0.32
ACE P12821 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
PKM P14618 1/20 0.31
LMNA P02545 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
SCHEMBL8819028 0.81 ALDH1A1 (0.35) KMT2ASMN1; SMN2MEN1MAPTNPC1
SCHEMBL8820211 0.78 ADRA1A (0.33) KMT2AALDH1A1ACEPKM
SCHEMBL8817416 0.78 ALDH1A1 (0.33) HSD17B10KMT2AALDH1A1ACE
SCHEMBL8817363 0.77 TNKS2 (0.41) HSD17B10SMN1; SMN2MAPTRAB9AALDH1A1
SCHEMBL8820263 0.75 KDM4E (0.33) SMN1; SMN2MAPTALDH1A1ACEHPGD
SCHEMBL8820260 0.73 USP2 (0.33) KMT2ASMN1; SMN2ALDH1A1ACELMNA
SCHEMBL8932451 0.72 GAA (0.35) KMT2ASMN1; SMN2ACE
SCHEMBL8817390 0.68 ALDH1A1 (0.36) ALDH1A1
SCHEMBL8820385 0.64 ACE (0.33) ALDH1A1ACE
SCHEMBL13042918 0.62 RAB9A (0.47) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997033888-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-09-18 WO disclosed