SCHEMBL28310893

SCHEMBL28310893

COC(=O)c1c(CBr)csc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 2/20 0.40
MAPT P10636 7/20 0.38
MAPK8 P45983 2/20 0.37
MAPK9 P45984 2/20 0.37
MAPK10 P53779 2/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
ALDH1A1 P00352 7/20 0.36
LMNA P02545 4/20 0.36
KMT2A Q03164 3/20 0.36
HPGD P15428 3/20 0.36
MEN1 O00255 2/20 0.36
MAPK1 P28482 2/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 3/20 0.34

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
SCHEMBL8793014 0.77 MAPT (0.45) PRKCZMAPTMAPK8MAPK9MAPK10
SCHEMBL20263513 0.72 TSHR (0.39) PRKCZMAPTALDH1A1LMNAKMT2A
SCHEMBL17398237 0.71 NOTUM (0.46) PRKCZMAPTMAPK8MAPK10CA12
SCHEMBL31729716 0.71 KDM4E (0.41) MAPTKMT2AMEN1TSHRHSD17B10
SCHEMBL3306728 0.71 KMT2A (0.41) MAPTKMT2AMEN1TSHRHSD17B10
SCHEMBL9544732 0.71 CA12 (0.55) MAPTCA12CA1CA2CA7
SCHEMBL4074676 0.69 CA12 (0.48) MAPTCA12CA1CA2CA7
SCHEMBL24716081 0.69 KMT2A (0.47) PRKCZMAPTCA12CA1CA2
SCHEMBL20263506 0.68 MAPK8 (0.41) MAPTMAPK8MAPK9MAPK10CA12
SCHEMBL1649000 0.68 CA12 (0.43) PRKCZMAPTCA12CA1CA2

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-110099907-A The Thienopyrroles derivative of targeting protein, composition, method and application thereof 拜欧赛里克斯公司 2019-08-06 CN disclosed