SCHEMBL7845221

SCHEMBL7845221

C[Si](C)(C)c1cccc(Cl)c1C(=O)NCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.49
AKR1B1 P15121 1/20 0.49
ACKR3 P25106 1/20 0.49
ALDH1A1 P00352 3/20 0.47
ALDH2 P05091 1/20 0.46
ALOX5 P09917 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
OPRM1 P35372 1/20 0.44
OPRK1 P41145 1/20 0.44
ROCK2 O75116 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL7854522 0.89 KMT2A (0.46) ALDH2MEN1KMT2ALMNACYP2C9
SCHEMBL7854551 0.82 MAPT (0.56) ALDH1A1ALDH2MEN1KMT2ALMNA
SCHEMBL7853972 0.82 MMP13 (0.58) ALDH1A1ROCK2LMNAMAPTHPGD
SCHEMBL7855101 0.77 MAPK7 (0.59) ALDH1A1ALDH2
SCHEMBL7853247 0.77 L3MBTL1 (0.53) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL7845677 0.76 ABCB1 (0.48) ALDH1A1ALDH2MEN1KMT2ALMNA
SCHEMBL13744675 0.76 AKR1B1 (0.53) PTPN1AKR1B1ACKR3ALDH1A1ALOX5
SCHEMBL7853871 0.76 ALDH2 (0.80) ALDH2MEN1KMT2ALMNAMAPT
SCHEMBL4582840 0.75 PTPN1 (0.63) PTPN1AKR1B1ACKR3ALDH1A1ALOX5
SCHEMBL30791550 0.74 PTPN1 (0.61) PTPN1ACKR3ALDH1A1MEN1KMT2A

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-1088481-A2 Fungicides for the control of take-all disease of plants MONSANTO COMPANY (US) 2001-04-04 EP disclosed