SCHEMBL11222808

SCHEMBL11222808

O=C(Oc1ccc(-c2ccccc2[N+](=O)[O-])cc1Br)Oc1ccc(-c2ccccc2[N+](=O)[O-])cc1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ NPC1 O15118 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ EIF4E P06730 5/20 0.39
▸ ADAMTS4 O75173 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ CTSB P07858 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ ABCB1 P08183 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ SLC9A1 P19634 1/20 0.36
▸ LMNA P02545 1/20 0.36

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
SCHEMBL11223683 0.84 ALDH1A1 (0.47) ALDH1A1TDP1NFKB1SMN1; SMN2EIF4E
SCHEMBL16919513 0.79 ALDH1A1 (0.59) ALDH1A1TDP1NPC1RAB9AMAPT
SCHEMBL1639302 0.76 ALDH1A1 (0.50) ALDH1A1TDP1NPC1RAB9AMAPT
SCHEMBL8061304 0.76 CASP6 (0.41) ALDH1A1TDP1NPC1RAB9ASMN1; SMN2
SCHEMBL11222802 0.73 ALDH1A1 (0.44) ALDH1A1TDP1NPC1RAB9AMAPT
SCHEMBL6309234 0.73 ALDH1A1 (0.57) ALDH1A1TDP1NPC1RAB9ASMN1; SMN2
SCHEMBL29911025 0.72 ALDH1A1 (0.60) ALDH1A1TDP1NPC1RAB9ASMN1; SMN2
SCHEMBL57736 0.72 ALDH1A1 (0.60) ALDH1A1TDP1NPC1RAB9ASMN1; SMN2
SCHEMBL15055251 0.71 ALDH1A1 (0.66) ALDH1A1TDP1NPC1RAB9AMAPT
SCHEMBL483903 0.71 ALDH1A1 (0.71) ALDH1A1TDP1NPC1RAB9AEIF4E

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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