SCHEMBL18477758

SCHEMBL18477758

O=C(C[C@@H]1CCCNC1)NC(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
CHRNB2 P17787 2/20 0.46
CHRNB4 P30926 2/20 0.46
CHRNA3 P32297 2/20 0.46
CHRNA4 P43681 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CCNT1 O60563 2/20 0.43
EPHX1 P07099 2/20 0.43
TSHR P16473 1/20 0.42
EPHX2 P34913 1/20 0.41

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
SCHEMBL8948696 0.84 KMT2A (0.51) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL12722664 0.83 ALDH1A1 (0.50) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL12722614 0.83 ALDH1A1 (0.50) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5338500 0.83 ALDH1A1 (0.50) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL6307871 0.82 ALDH1A1 (0.49) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL15358250 0.81 KMT2A (0.52) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4578508 0.79 KMT2A (0.58) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL22710505 0.79 ALDH1A1 (0.53) KMT2AALDH1A1MEN1GAAEPHX1
SCHEMBL23295438 0.78 ITGB3 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL23295439 0.78 ITGB3 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4

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
US-9567304-B2 Quinazolinedione derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2017-02-14 US disclosed