SCHEMBL2940291

SCHEMBL2940291

COC(=O)c1c([N+](=O)[O-])c2ccccc2n1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.45
▸ HPGD P15428 2/20 0.45
▸ PABPC1 P11940 1/20 0.45
▸ EIF4H Q15056 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ MAPT P10636 7/20 0.45
▸ LMNA P02545 3/20 0.45
▸ NPSR1 Q6W5P4 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ TLR9 Q9NR96 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ XBP1 P17861 1/20 0.45
▸ PAX8 Q06710 1/20 0.45
▸ NR4A2 P43354 3/20 0.42
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ GAA P10253 1/20 0.41
▸ EGFR P00533 1/20 0.40

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
SCHEMBL28072348 0.70 SRC (0.50) ALDH1A1HPGDPABPC1EIF4HKDM4E
SCHEMBL27368473 0.69 PABPC1 (0.45) ALDH1A1HPGDPABPC1EIF4HKDM4E
SCHEMBL2936658 0.69 RAB9A (0.45) ALDH1A1HPGDKDM4EMAPTLMNA
SCHEMBL11548967 0.69 ALDH1A1 (0.47) ALDH1A1HPGDPABPC1EIF4HKDM4E
SCHEMBL4208219 0.67 KDM4E (0.62) ALDH1A1HPGDPABPC1EIF4HKDM4E
SCHEMBL1287810 0.67 NCEH1 (0.57) ALDH1A1HPGDKDM4EMAPTLMNA
SCHEMBL6298233 0.67 NR4A2 (0.61) ALDH1A1KDM4EMAPTLMNASMN1; SMN2
SCHEMBL9505735 0.66 MAPT (0.58) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL6995149 0.66 SMN1; SMN2 (0.52) ALDH1A1KDM4EMAPTLMNASMN1; SMN2
SCHEMBL24482887 0.66 ALDH1A1 (0.61) ALDH1A1HPGDPABPC1EIF4HKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2220081-A2 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG Life Sciences Ltd. (KR) 2010-08-25 — — EP disclosed
WO-2009082152-A2 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG LIFE SCIENCES LTD. (KR) 2009-07-02 — — WO disclosed
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