SCHEMBL28854616

SCHEMBL28854616

Cc1nc2cc(Cc3cccc(F)c3)cc([N+](=O)[O-])c2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MGMT P16455 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ RIPK1 Q13546 1/20 0.36
▸ MDM2 Q00987 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ APOBEC3G Q9HC16 1/20 0.35
▸ FBP1 P09467 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ PRKCQ Q04759 1/20 0.35
▸ DAO P14920 1/20 0.34
▸ HCAR2 Q8TDS4 1/20 0.34
▸ IDH1 O75874 1/20 0.34
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 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
SCHEMBL28195340 0.87 SMN1; SMN2 (0.45) MEN1KMT2AMAPTRIPK1MDM2
SCHEMBL28854614 0.82 MEN1 (0.39) MEN1KMT2AMGMTMAPTRIPK1
SCHEMBL28194827 0.80 CDC7 (0.40) MEN1KMT2AMGMTMAPTIDO1
SCHEMBL1013587 0.71 MAPT (0.53) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL28194824 0.71 MEN1 (0.38) MEN1KMT2AMGMTMAPTIDO1
SCHEMBL18152708 0.70 RIPK1 (0.41) MEN1KMT2AMGMTRIPK1IDO1
SCHEMBL12812249 0.70 TSHR (0.50) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL18152622 0.69 MGMT (0.39) MEN1KMT2AMGMTMAPTIDO1
SCHEMBL22897963 0.69 TSHR (0.46) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL12473103 0.69 GRIN2D (0.40) MEN1KMT2AMAPTALDH1A1FBP1

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-107635558-A Bu Luomo domain inhibitor 赛尔基因昆蒂赛尔研究公司 2018-01-26 — — CN disclosed
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