SCHEMBL19840133

SCHEMBL19840133

Cc1ccc(Sc2nc3ccccc3s2)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.53
▸ KMT2A Q03164 5/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ JAK2 O60674 1/20 0.53
▸ ATM Q13315 1/20 0.53
▸ CTSD P07339 3/20 0.52
▸ HSPD1 P10809 2/20 0.52
▸ HSPE1 P61604 2/20 0.52
▸ FBP1 P09467 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ ADRA2A P08913 1/20 0.49
▸ ADORA3 P0DMS8 1/20 0.49
▸ DRD2 P14416 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ ADRA2B P18089 1/20 0.49
▸ ADRA2C P18825 1/20 0.49
▸ DRD1 P21728 1/20 0.49
▸ MC5R P33032 1/20 0.49

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
SCHEMBL31038102 0.86 KMT2A (0.55) MAPTKMT2AMEN1KDM4EJAK2
SCHEMBL30895880 0.83 CTSD (0.52) MAPTKMT2AMEN1KDM4EJAK2
SCHEMBL19840432 0.83 CTSD (0.52) MAPTKMT2AMEN1KDM4EJAK2
SCHEMBL24438715 0.83 CTSD (0.60) MAPTKMT2AMEN1KDM4EJAK2
SCHEMBL8736939 0.80 CTSD (0.52) MAPTKMT2AMEN1KDM4EJAK2
SCHEMBL24118868 0.78 KMT2A (0.57) MAPTKMT2AMEN1CTSDHSPD1
SCHEMBL11823166 0.77 FBP1 (0.65) MAPTKMT2AMEN1KDM4EJAK2
SCHEMBL31038148 0.77 ALDH1A1 (0.54) MAPTKMT2AMEN1KDM4EJAK2
SCHEMBL31038144 0.76 ALDH1A1 (0.58) MAPTKMT2AMEN1KDM4EJAK2
SCHEMBL8363011 0.76 FBP1 (0.58) MAPTKMT2AMEN1KDM4EJAK2

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-9884046-B1 Method of treating lung cancer MACAU UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2018-02-06 — — US disclosed
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