SCHEMBL11611858

SCHEMBL11611858

O=C(c1cc(Br)c(Br)[nH]1)N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ HPGD P15428 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ NSD2 O96028 1/20 0.49
▸ NR4A1 P22736 1/20 0.49
▸ CTDSP1 Q9GZU7 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ MAP2K1 Q02750 1/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ GLA P06280 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ CCNC P24863 1/20 0.43
▸ CDK8 P49336 1/20 0.43
▸ HASPIN Q8TF76 1/20 0.43
▸ ERN1 O75460 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.42
▸ HTT P42858 1/20 0.42

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
SCHEMBL11611730 0.83 MAP2K1 (0.50) SMN1; SMN2HPGDMAP2K1KMT2AALDH1A1
SCHEMBL11609157 0.74 POLB (0.55) POLBSMN1; SMN2HPGDKDM4EKMT2A
SCHEMBL1612954 0.74 HRH3 (0.72) POLBSMN1; SMN2KMT2ARAB9AHRH3
SCHEMBL25433252 0.72 POLB (0.59) POLBSMN1; SMN2HPGDHRH3TSHR
SCHEMBL31609624 0.72 POLB (0.59) POLBSMN1; SMN2HPGDHRH3TSHR
SCHEMBL3253717 0.71 POLB (1.00) POLBSMN1; SMN2KDM4EALDH1A1HRH3
SCHEMBL12864408 0.71 POLB (0.62) POLBSMN1; SMN2HPGDTDP1L3MBTL1
SCHEMBL6214896 0.70 POLB (0.50) POLBSMN1; SMN2HPGDKDM4EKMT2A
SCHEMBL14994009 0.69 MAPT (0.67) POLBSMN1; SMN2HPGDKDM4ENSD2
SCHEMBL2931560 0.69 TSHR (0.54) POLBHPGDKDM4ENSD2NR4A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4084051-A BACTERICIDES, HERBICIDES STERLING DRUG INC. (US) 1978-04-11 — — US claimed
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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