SCHEMBL11223661

SCHEMBL11223661

O=C(Oc1c(Cl)cccc1-c1ccccc1[N+](=O)[O-])Oc1c(Cl)cccc1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.46
▸ POLB P06746 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.45
▸ HPGD P15428 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ PTPN7 P35236 1/20 0.42
▸ PTPN12 Q05209 1/20 0.42
▸ PTPN22 Q9Y2R2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ EIF4E P06730 1/20 0.41
▸ GAA P10253 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
SCHEMBL11222802 0.82 ALDH1A1 (0.44) MAPTALDH1A1NPC1RAB9ATDP1
SCHEMBL4583256 0.77 ALDH1A1 (0.59) MAPTPOLBALDH1A1HPGDSMN1; SMN2
SCHEMBL1639302 0.76 ALDH1A1 (0.50) MAPTALDH1A1HPGDNPC1RAB9A
SCHEMBL29236126 0.74 MAPT (0.52) MAPTPOLBALDH1A1HPGDSMN1; SMN2
SCHEMBL11647517 0.73 MAPT (0.55) MAPTPOLBALDH1A1HPGDSMN1; SMN2
SCHEMBL11223683 0.73 ALDH1A1 (0.47) MAPTPOLBALDH1A1HPGDSMN1; SMN2
SCHEMBL8065623 0.73 KMT2A (0.52) POLBALDH1A1HPGDTDP1PTPN7
SCHEMBL1287837 0.73 ALDH1A1 (0.74) ALDH1A1HPGDNPC1CYP3A4CYP2D6
SCHEMBL30535903 0.73 ALDH1A1 (0.74) ALDH1A1HPGDNPC1CYP3A4CYP2D6
SCHEMBL11223718 0.72 ALDH1A1 (0.46) MAPTALDH1A1HPGDNPC1RAB9A

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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