SCHEMBL11223683

SCHEMBL11223683

O=C(Oc1ccc(-c2ccccc2[N+](=O)[O-])cc1Cl)Oc1ccc(-c2ccccc2[N+](=O)[O-])cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ EIF4E P06730 6/20 0.44
▸ HPGD P15428 2/20 0.42
▸ PTGS2 P35354 2/20 0.41
▸ GSK3A P49840 3/20 0.40
▸ GSK3B P49841 3/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ LMNA P02545 3/20 0.40
▸ MAPT P10636 3/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ GMNN O75496 1/20 0.39
▸ CCNB2 O95067 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CCNB1 P14635 1/20 0.39

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
SCHEMBL11222808 0.84 ALDH1A1 (0.47) ALDH1A1TDP1EIF4ELMNAMAPT
SCHEMBL29962438 0.82 ALDH1A1 (0.59) ALDH1A1TDP1EIF4EHPGDGSK3A
SCHEMBL1558204 0.82 ALDH1A1 (0.59) ALDH1A1TDP1EIF4EHPGDGSK3A
SCHEMBL1639302 0.76 ALDH1A1 (0.50) ALDH1A1TDP1HPGDLMNAMAPT
SCHEMBL8061304 0.76 CASP6 (0.41) ALDH1A1TDP1MAPTMEN1CYP1A2
SCHEMBL11223661 0.73 MAPT (0.46) ALDH1A1TDP1EIF4EHPGDLMNA
SCHEMBL28193616 0.73 HSD17B10 (0.61) ALDH1A1HPGDLMNAMAPTMEN1
SCHEMBL23166790 0.73 TDP1 (0.54) ALDH1A1TDP1EIF4EHPGDPTGS2
SCHEMBL6309234 0.73 ALDH1A1 (0.57) ALDH1A1TDP1HPGDMAPTGAA
SCHEMBL29911025 0.72 ALDH1A1 (0.60) ALDH1A1TDP1HPGDLMNAMAPT

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
US-4363905-A PHASE TRANSFER CATALYST GENERAL ELECTRIC COMPANY (US) 1982-12-14 — — US disclosed
US-4316981-A Polycarbonate transesterification GENERAL ELECTRIC COMPANY (US) 1982-02-23 — — US disclosed
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