SCHEMBL19964287

SCHEMBL19964287

CC(C)(C)OC(=O)NCc1cc2cc(I)ccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ HPN P05981 1/20 0.43
▸ KDM4A O75164 1/20 0.43
▸ RAB9A P51151 2/20 0.42
▸ CACNA1H O95180 1/20 0.42
▸ CACNA1B Q00975 1/20 0.42
▸ CACNA1C Q13936 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ GABRA1 P14867 1/20 0.40
▸ GABRG2 P18507 1/20 0.40
▸ GABRB3 P28472 1/20 0.40
▸ GABRA5 P31644 1/20 0.40
▸ GABRA3 P34903 1/20 0.40
▸ GABRA2 P47869 1/20 0.40
▸ BCHE P06276 1/20 0.40
▸ MTNR1A P48039 2/20 0.39
▸ MTNR1B P49286 1/20 0.39
▸ HRH4 Q9H3N8 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL30130048 0.86 SMN1; SMN2 (0.56) SMN1; SMN2HPNKDM4ARAB9ACACNA1H
SCHEMBL19964551 0.85 SMN1; SMN2 (0.55) SMN1; SMN2HPNKDM4ARAB9ACACNA1H
SCHEMBL30469092 0.83 KDM4A (0.54) SMN1; SMN2KDM4ARAB9ACACNA1HCACNA1B
SCHEMBL25677972 0.83 KDM4A (0.54) SMN1; SMN2KDM4ARAB9ACACNA1HCACNA1B
SCHEMBL19964549 0.81 SMN1; SMN2 (0.51) SMN1; SMN2HPNKDM4ARAB9ACACNA1H
SCHEMBL23478663 0.79 SMN1; SMN2 (0.48) SMN1; SMN2KDM4ACACNA1HCACNA1BCACNA1C
SCHEMBL30632885 0.79 SMN1; SMN2 (0.48) SMN1; SMN2KDM4ACACNA1HCACNA1BCACNA1C
SCHEMBL30920730 0.79 NQO2 (0.48) SMN1; SMN2HPNKDM4ACACNA1HCACNA1B
SCHEMBL30130020 0.78 SMN1; SMN2 (0.48) SMN1; SMN2HPNKDM4ARAB9ACACNA1H
SCHEMBL30130041 0.78 SMN1; SMN2 (0.47) SMN1; SMN2HPNKDM4ARAB9ACACNA1H

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
WO-2018048930-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. (US) 2018-03-15 — — WO disclosed
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