SCHEMBL5203496

SCHEMBL5203496

CCn1cc(C2CCN(C(=O)c3c(-c4ccccc4Cl)noc3C)C2)c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.60
MEN1 O00255 4/20 0.60
ALDH1A1 P00352 6/20 0.54
NPC1 O15118 1/20 0.54
EPAS1 Q99814 1/20 0.54
LMNA P02545 6/20 0.51
HTT P42858 2/20 0.51
USP2 O75604 1/20 0.51
TSHR P16473 5/20 0.51
GAA P10253 1/20 0.51
KDM4E B2RXH2 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HIF1A Q16665 1/20 0.46

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
SCHEMBL5202929 0.85 KMT2A (0.51) KMT2AMEN1ALDH1A1NPC1EPAS1
SCHEMBL5231721 0.82 TSHR (0.51) KMT2AMEN1ALDH1A1NPC1EPAS1
SCHEMBL4862667 0.75 TSHR (0.47) KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL5202510 0.75 HSD11B1 (0.55) KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL12694150 0.74 ALDH1A1 (0.70) KMT2AMEN1ALDH1A1NPC1EPAS1
SCHEMBL12694217 0.74 ALDH1A1 (0.70) KMT2AMEN1ALDH1A1NPC1EPAS1
SCHEMBL5205358 0.73 ALDH1A1 (0.45) KMT2AALDH1A1SMN1; SMN2
SCHEMBL5202100 0.72 ALDH1A1 (0.51) KMT2AALDH1A1SMN1; SMN2
SCHEMBL5203757 0.72 NPC1 (0.57) KMT2AMEN1ALDH1A1NPC1KDM4E
SCHEMBL5204500 0.72 TPSAB1 (0.47) KMT2AALDH1A1SMN1; SMN2

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
EP-1654253-B1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2007-01-03 EP claimed