SCHEMBL28061458

SCHEMBL28061458

NC(=S)NNC(=O)c1cccc2nc3ccccc3cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.51
CA9 Q16790 1/20 0.51
KMT2A Q03164 7/20 0.46
KDM4E B2RXH2 7/20 0.46
GAA P10253 6/20 0.46
POLB P06746 5/20 0.46
ALDH1A1 P00352 5/20 0.46
LMNA P02545 4/20 0.46
HPGD P15428 2/20 0.46
NPC1 O15118 1/20 0.46
GLA P06280 1/20 0.46
PTBP1 P26599 1/20 0.46
RAB9A P51151 1/20 0.46
RCE1 Q9Y256 1/20 0.46
MAPT P10636 5/20 0.46
MAPK1 P28482 4/20 0.46
TDP1 Q9NUW8 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45

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
Thiourea SCHEMBL27997998 0.82 ALDH1A1 (0.58) KMT2AKDM4EGAAPOLBALDH1A1
SCHEMBL30777936 0.82 GAA (0.51) KMT2AKDM4EGAAPOLBALDH1A1
SCHEMBL28573106 0.82 GAA (0.51) KMT2AKDM4EGAAPOLBALDH1A1
SCHEMBL154847 0.81 ALDH1A1 (0.64) KMT2AKDM4EGAAPOLBALDH1A1
SCHEMBL28228752 0.81 ALDH1A1 (0.56) KMT2AKDM4EGAAPOLBALDH1A1
Hydrochloric Acid SCHEMBL8197602 0.79 ALDH1A1 (0.62) KMT2AKDM4EGAAPOLBALDH1A1
SCHEMBL5352931 0.79 ALDH1A1 (0.53) KMT2AKDM4EGAAPOLBALDH1A1
SCHEMBL10934941 0.77 KMT2A (0.45) KMT2AKDM4EGAAPOLBALDH1A1
SCHEMBL30075088 0.77 ALDH1A1 (0.55) KMT2AKDM4EGAAPOLBALDH1A1
SCHEMBL28795494 0.77 ALDH1A1 (0.55) KMT2AKDM4EGAAPOLBALDH1A1

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
CN-105481769-A Benzo(c)acridine derivative, and preparation method and use thereof UNIV GUANGXI CHINESE MEDICINE 2016-04-13 CN disclosed