SCHEMBL28854614

SCHEMBL28854614

Cc1nc2c([N+](=O)[O-])cc(Cc3cccc(F)c3)cc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ DHODH Q02127 2/20 0.39
▸ MGMT P16455 1/20 0.38
▸ IDO1 P14902 1/20 0.37
▸ PRKCQ Q04759 2/20 0.37
▸ MGAM O43451 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ SI P14410 1/20 0.36
▸ MGAM2 Q2M2H8 1/20 0.36
▸ RIPK1 Q13546 1/20 0.36
▸ MDM2 Q00987 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ P2RX7 Q99572 1/20 0.36
▸ MPO P05164 1/20 0.36
▸ HTR6 P50406 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ APOBEC3G Q9HC16 1/20 0.35

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
SCHEMBL28195339 0.86 SMN1; SMN2 (0.46) MEN1KMT2ARIPK1MDM2SMN1; SMN2
SCHEMBL28854616 0.82 MEN1 (0.41) MEN1KMT2AMGMTIDO1PRKCQ
SCHEMBL28194824 0.81 MEN1 (0.38) MEN1KMT2AMGMTIDO1PRKCQ
SCHEMBL18152708 0.81 RIPK1 (0.41) MEN1KMT2AMGMTIDO1PRKCQ
SCHEMBL18152622 0.79 MGMT (0.39) MEN1KMT2ADHODHMGMTIDO1
SCHEMBL1013588 0.72 PKN1 (0.60) MEN1KMT2AMGAMGAASI
SCHEMBL28194827 0.71 CDC7 (0.40) MEN1KMT2AMGMTIDO1PRKCQ
Dimethylamine SCHEMBL7486960 0.71 PKN1 (0.56) MEN1KMT2AMGAMGAASI
SCHEMBL12812249 0.70 TSHR (0.50) MEN1KMT2AIDO1SMN1; SMN2ALDH1A1
SCHEMBL22897963 0.69 TSHR (0.46) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT

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
Send feedback