SCHEMBL6180793

SCHEMBL6180793

CC(C)[C@H](NC(=O)c1cc(-c2ncc(C(F)(F)F)cc2Cl)ccc1Cl)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.46
DGAT1 O75907 1/20 0.45
CSGALNACT1 Q8TDX6 2/20 0.43
MCL1 Q07820 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
KMT2A Q03164 1/20 0.42
P2RX7 Q99572 1/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 2/20 0.41
SORT1 Q99523 1/20 0.41
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL8673378 1.00 MRGPRX4 (0.46) MRGPRX4DGAT1CSGALNACT1MCL1SMN1; SMN2
SCHEMBL6174846 0.80 SMN1; SMN2 (0.52) MRGPRX4SMN1; SMN2MAPK1ALDH1A1KDM4E
SCHEMBL31239091 0.80 SMN1; SMN2 (0.52) MRGPRX4SMN1; SMN2MAPK1ALDH1A1KDM4E
SCHEMBL8673382 0.79 P2RX7 (0.46) SMN1; SMN2MAPK1ALDH1A1KDM4EKMT2A
SCHEMBL6177347 0.78 MAPK1 (0.52) MRGPRX4SMN1; SMN2MAPK1ALDH1A1KDM4E
SCHEMBL29712887 0.78 MAPK1 (0.52) MRGPRX4SMN1; SMN2MAPK1ALDH1A1KDM4E
SCHEMBL6176107 0.78 ALDH1A1 (0.47) SMN1; SMN2MAPK1ALDH1A1KDM4EKMT2A
SCHEMBL6177094 0.78 ALDH1A1 (0.52) SMN1; SMN2MAPK1ALDH1A1KDM4EKMT2A
SCHEMBL8673381 0.77 MAPK1 (0.43) SMN1; SMN2MAPK1ALDH1A1KDM4EKMT2A
SCHEMBL6177600 0.77 L3MBTL1 (0.47) SMN1; SMN2MAPK1ALDH1A1KDM4EKMT2A

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
EP-0708756-B1 SUBSTITUTED 2-PHENYLPYRIDINES WITH HERBICIDAL ACTION BASF AG (DE) 2005-06-01 EP disclosed
CN-1127504-A Substituted 2-phenylpyridines with herbicidal action BASF AG (DE) 1996-07-24 CN disclosed
EP-0708756-A1 SUBSTITUTED 2-PHENYLPYRIDINES WITH HERBICIDAL ACTION BASF AKTIENGESELLSCHAFT (DE) 1996-05-01 EP disclosed
WO-1995002580-A2 SUBSTITUTED 2-PHENYLPYRIDINES WITH HERBICIDAL ACTION BASF AKTIENGESELLSCHAFT (DE) 1995-01-26 WO disclosed