SCHEMBL10428686

SCHEMBL10428686

CC=C(C(=O)O)c1nc(N)sc1Cl

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 4/20 0.36
PKM P14618 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 1/20 0.35
COPS5 Q92905 6/20 0.35
RCE1 Q9Y256 1/20 0.34
FBP1 P09467 1/20 0.31
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL10428685 1.00 ALDH1A1 (0.36) ALDH1A1KDM4EPKMSMN1; SMN2L3MBTL1
SCHEMBL10428755 0.81 NOS1 (0.41) ALDH1A1KDM4EPKMSMN1; SMN2L3MBTL1
SCHEMBL10428754 0.81 NOS1 (0.41) ALDH1A1KDM4EPKMSMN1; SMN2L3MBTL1
SCHEMBL4257076 0.78 ALDH1A1 (0.36) ALDH1A1KDM4EPKMSMN1; SMN2L3MBTL1
SCHEMBL2487227 0.77 COPS5 (0.44) ALDH1A1KDM4EPKMSMN1; SMN2L3MBTL1
SCHEMBL11035827 0.75 ALDH1A1 (0.35) ALDH1A1KDM4EPKMSMN1; SMN2L3MBTL1
SCHEMBL9329514 0.74 ALDH1A1 (0.34) ALDH1A1KDM4EPKMSMN1; SMN2L3MBTL1
SCHEMBL9329506 0.72 ALDH1A1 (0.33) ALDH1A1KDM4EPKMSMN1; SMN2L3MBTL1
SCHEMBL3046694 0.71 KDM4E (0.59) ALDH1A1KDM4EPKMSMN1; SMN2L3MBTL1
SCHEMBL10897593 0.71 KDM4E (0.39) ALDH1A1KDM4EPKMSMN1; SMN2L3MBTL1

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-4943568-A Cephalosporins BAYER AKTIENGESELLSCHAFT (DE) 1990-07-24 US disclosed