SCHEMBL16139718

SCHEMBL16139718

NC1=NN(c2ccccc2)C(I)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.36
▸ KMT2A Q03164 8/20 0.36
▸ ATM Q13315 5/20 0.36
▸ HSP90AA1 P07900 2/20 0.36
▸ L3MBTL1 Q9Y468 5/20 0.36
▸ KDM4E B2RXH2 5/20 0.36
▸ GLA P06280 4/20 0.36
▸ MAPT P10636 3/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ SIGMAR1 Q99720 2/20 0.35
▸ EGFR P00533 2/20 0.35
▸ ERBB2 P04626 2/20 0.35
▸ PRKCZ Q05513 1/20 0.35
▸ ALDH1A1 P00352 5/20 0.34
▸ GAA P10253 4/20 0.34
▸ HPGD P15428 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL7721905 0.78 L3MBTL1 (0.40) MEN1KMT2AATMHSP90AA1L3MBTL1
SCHEMBL11068412 0.78 MEN1 (0.54) MEN1KMT2AATMHSP90AA1L3MBTL1
SCHEMBL16139671 0.76 MEN1 (0.40) MEN1KMT2AKDM4EMAPTMAPK1
SCHEMBL7714597 0.75 DPP4 (0.37) MEN1KMT2AATMGLAMAPT
SCHEMBL7719090 0.74 PRKCZ (0.35) MEN1KMT2AATMHSP90AA1L3MBTL1
SCHEMBL7717975 0.74 ALDH1A1 (0.39) MEN1KMT2AATMHSP90AA1L3MBTL1
SCHEMBL1781467 0.74 NOS1 (0.39) MEN1KMT2AATMHSP90AA1L3MBTL1
SCHEMBL10418491 0.71 MEN1 (0.57) MEN1KMT2AATML3MBTL1KDM4E
SCHEMBL11060055 0.71 EGFR (0.53) MEN1KMT2AATMHSP90AA1L3MBTL1
SCHEMBL11060811 0.71 PRKCZ (0.56) MEN1KMT2AATMEGFRERBB2

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
EP-2784074-A1 PYRAZOLE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES Japan Tobacco, Inc. (JP) 2014-10-01 — — EP disclosed
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