SCHEMBL6424822

SCHEMBL6424822

O=C(CBr)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.77
▸ MAPT P10636 1/20 0.72
▸ LMNA P02545 4/20 0.67
▸ TSHR P16473 2/20 0.67
▸ SMN1; SMN2 Q16637 1/20 0.67
▸ ALDH1A1 P00352 1/20 0.67
▸ MARS2 Q96GW9 1/20 0.67
▸ CYP2C19 P33261 1/20 0.67
▸ RPLP1 P05386 1/20 0.61
▸ RPLP0 P05388 1/20 0.61
▸ RPS17 P08708 1/20 0.61
▸ RPSA P08865 1/20 0.61
▸ RPS2 P15880 1/20 0.61
▸ RPL35A P18077 1/20 0.61
▸ RPL7 P18124 1/20 0.61
▸ RPL17 P18621 1/20 0.61
▸ RPS4Y1 P22090 1/20 0.61
▸ RPS3 P23396 1/20 0.61
▸ RPS12 P25398 1/20 0.61
▸ RPL13 P26373 1/20 0.61

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
SCHEMBL16011473 0.91 CYP3A4 (0.91) CYP3A4MAPTLMNATSHRSMN1; SMN2
SCHEMBL2321619 0.89 CYP3A4 (0.77) CYP3A4MAPTLMNATSHRSMN1; SMN2
SCHEMBL16093313 0.87 LMNA (0.74) CYP3A4MAPTLMNATSHRSMN1; SMN2
Chloramphenicol Succinic Acid SCHEMBL13287196 0.87 CYP3A4 (1.00) CYP3A4MAPTLMNATSHRSMN1; SMN2
Chloramphenicol Succinic Acid SCHEMBL12495640 0.87 CYP3A4 (1.00) CYP3A4MAPTLMNATSHRSMN1; SMN2
Chloramphenicol Succinic Acid SCHEMBL16011474 0.87 CYP3A4 (1.00) CYP3A4MAPTLMNATSHRSMN1; SMN2
SCHEMBL3417156 0.87 MAPT (0.86) CYP3A4MAPTLMNATSHRSMN1; SMN2
SCHEMBL12850350 0.86 CYP3A4 (0.72) CYP3A4MAPTLMNATSHRSMN1; SMN2
SCHEMBL16009977 0.86 CYP3A4 (0.72) CYP3A4MAPTLMNATSHRSMN1; SMN2
SCHEMBL4744337 0.86 CYP3A4 (0.72) CYP3A4MAPTLMNATSHRSMN1; SMN2

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-1212056-B1 METHODS AND COMPOSITIONS FOR BISUBSTRATE INHIBITORS OF ACETYLTRANSFERASES US GOV HEALTH & HUMAN SERV (US) 2005-12-07 — — EP disclosed
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