SCHEMBL10333387

SCHEMBL10333387

CCSc1nnnn1-c1cccc(C#N)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.63
TP53 P04637 1/20 0.60
MAPT P10636 4/20 0.52
POLB P06746 4/20 0.52
TSHR P16473 3/20 0.52
HTT P42858 2/20 0.52
KDM4E B2RXH2 2/20 0.52
LMNA P02545 4/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
TDP1 Q9NUW8 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HPGD P15428 1/20 0.45
NOTUM Q6P988 1/20 0.43
NPC1 O15118 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL7934367 0.80 ALDH1A1 (0.54) ALDH1A1TP53MAPTPOLBTSHR
SCHEMBL10448232 0.78 ALDH1A1 (1.00) ALDH1A1TP53MAPTPOLBTSHR
SCHEMBL4282865 0.77 ALDH1A1 (0.53) ALDH1A1TP53MAPTPOLBTSHR
SCHEMBL8827928 0.75 TP53 (1.00) ALDH1A1TP53MAPTPOLBHTT
SCHEMBL28458190 0.75 ALDH1A1 (0.53) ALDH1A1MAPTTSHRHTTKDM4E
SCHEMBL27504788 0.75 ALDH1A1 (0.59) ALDH1A1MAPTPOLBTSHRHTT
SCHEMBL7232691 0.75 ALDH1A1 (0.59) ALDH1A1MAPTTSHRHTTKDM4E
SCHEMBL28463423 0.75 ALDH1A1 (0.59) ALDH1A1MAPTTSHRHTTKDM4E
SCHEMBL3831656 0.72 ALDH1A1 (0.50) ALDH1A1TP53MAPTPOLBTSHR
SCHEMBL27500444 0.70 ALDH1A1 (0.54) ALDH1A1TP53MAPTTSHRHTT

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-4894312-A Light sensitive silver halide emulsion on support and compound capable of releasing dye AGFA-GEVAERT AKTIENGESELLSCHAFT (DE) 1990-01-16 US disclosed