SCHEMBL11611110

SCHEMBL11611110

O=C(Nc1ccc(Br)cc1Br)c1cc(Br)c(Br)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ NFKB2 Q00653 1/20 0.48
▸ RELA Q04206 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ TOP2A P11388 2/20 0.46
▸ MAP2K1 Q02750 1/20 0.46
▸ MMP2 P08253 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ DAO P14920 1/20 0.44

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
SCHEMBL11607985 0.81 MMP2 (0.57) NPC1RAB9AMAP2K1MMP2MEN1
SCHEMBL11607016 0.77 MEN1 (0.62) NPC1RAB9AMMP2MEN1KMT2A
SCHEMBL11606613 0.76 DAO (0.53) MAP2K1MMP2MEN1POLBKMT2A
SCHEMBL7861893 0.76 MAPT (0.69) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4158650 0.73 HDAC1 (0.58) NPC1RAB9AHPGDNFKB1NFKB2
SCHEMBL11609706 0.72 MMP2 (0.73) NPC1RAB9ASMN1; SMN2MMP2MEN1
SCHEMBL11607921 0.71 MAP2K1 (0.62) MAP2K1MMP2DAO
SCHEMBL9835752 0.71 NPC1 (0.53) NPC1RAB9AHPGDNFKB1NFKB2
SCHEMBL31236186 0.71 ALDH1A1 (0.62) NPC1RAB9AHPGDNFKB1NFKB2
SCHEMBL31236185 0.71 ALDH1A1 (0.62) NPC1RAB9AHPGDNFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4084051-A BACTERICIDES, HERBICIDES STERLING DRUG INC. (US) 1978-04-11 — — US disclosed
US-4046775-A 4,5-Dihalopyrrole-2-carboxamides STERLING DRUG INC. (US) 1977-09-06 — — US disclosed
US-3963480-A Herbicidal pyrrole-2-carboxamides STERLING DRUG INC. (US) 1976-06-15 — — US disclosed
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