SCHEMBL20083987

SCHEMBL20083987

O=C(Nc1cccc(Br)c1)c1cccc(CCN2CCN(C(=O)C3CCC3)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 1/20 0.57
▸ POLB P06746 1/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ GAA P10253 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ ACKR3 P25106 3/20 0.47
▸ MAPT P10636 2/20 0.46
▸ THRB P10828 1/20 0.46
▸ SIRT2 Q8IXJ6 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ FAAH O00519 1/20 0.45
▸ ABCB1 P08183 1/20 0.44
▸ ABCG2 Q9UNQ0 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
SCHEMBL20083988 0.90 RORC (0.48) RORCPOLBSMN1; SMN2GAAHTT
SCHEMBL19157407 0.85 HTR1A (0.56) RORCRAB9AACKR3FAAH
SCHEMBL19157902 0.82 RORC (0.51) RORCACKR3
SCHEMBL19157247 0.80 RORC (0.49) RORCRAB9AL3MBTL1MAPT
SCHEMBL15276820 0.78 SIRT2 (0.73) SMN1; SMN2GAAHTTRAB9ASIRT2
SCHEMBL19157242 0.75 RAB9A (0.62) RORCPOLBSMN1; SMN2GAAHTT
SCHEMBL15276790 0.74 SIRT2 (0.72) POLBSMN1; SMN2GAAHTTRAB9A
SCHEMBL19157278 0.73 KDM4E (0.69) RORCPOLBSMN1; SMN2GAAHTT
SCHEMBL21844943 0.72 ALDH1A1 (0.54) POLBSMN1; SMN2RAB9AL3MBTL1ACKR3
SCHEMBL21844944 0.72 HTR1A (0.54) POLBSMN1; SMN2HTTRAB9AACKR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3312160-A1 HEPATITIS B ANTIVIRAL AGENTS Novira Therapeutics Inc. (US) 2018-04-25 — — EP disclosed
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