SCHEMBL8097041

SCHEMBL8097041

N#CSc1ccc(N)cc1.[NaH]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.52
CA5A P35218 1/20 0.52
ALDH1A1 P00352 9/20 0.50
MAPT P10636 8/20 0.50
CYP3A4 P08684 3/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
POLB P06746 1/20 0.46
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
KDM4E B2RXH2 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
USP2 O75604 1/20 0.37
USP8 P40818 1/20 0.37
USP5 P45974 1/20 0.37
USP4 Q13107 1/20 0.37
USP7 Q93009 1/20 0.37
HTT P42858 2/20 0.36
APP P05067 1/20 0.36
MCL1 Q07820 1/20 0.36

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
SCHEMBL126505 0.97 CA2 (0.54) CA2CA5AALDH1A1MAPTCYP3A4
SCHEMBL10350933 0.95 CA2 (0.52) CA2CA5AALDH1A1MAPTCYP3A4
SCHEMBL2981226 0.95 CA2 (0.52) CA2CA5AALDH1A1MAPTCYP3A4
SCHEMBL3242947 0.95 CA2 (0.52) CA2CA5AALDH1A1MAPTCYP3A4
SCHEMBL7921161 0.95 CA2 (0.52) CA2CA5AALDH1A1MAPTCYP3A4
SCHEMBL2777933 0.95 CA2 (0.52) CA2CA5AALDH1A1MAPTCYP3A4
SCHEMBL8364747 0.95 CA2 (0.52) CA2CA5AALDH1A1MAPTCYP3A4
Ammonia Solution, Strong SCHEMBL5658673 0.95 CA2 (0.52) CA2CA5AALDH1A1MAPTCYP3A4
SCHEMBL4408306 0.84 ALDH1A1 (0.64) CA2CA5AALDH1A1MAPTCYP3A4
SCHEMBL26435964 0.73 CA2 (0.46) CA2CA5AALDH1A1MAPTPOLB

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-6086741-A Process for sulfurizing treatment of ferrous articles DOWA MINING CO., LTD. (JP) 2000-07-11 US disclosed