SCHEMBL6175381

SCHEMBL6175381

CCSCc1cc(-c2ncc(C(F)(F)F)cc2SCC)ccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
PIEZO1 Q92508 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
P2RX7 Q99572 1/20 0.34
PKM P14618 2/20 0.33
NPSR1 Q6W5P4 1/20 0.32
DDR1 Q08345 2/20 0.32
MAPK14 Q16539 1/20 0.31
MEN1 O00255 1/20 0.31
STAT3 P40763 1/20 0.31
STAT1 P42224 1/20 0.31
CASP3 P42574 1/20 0.31

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
SCHEMBL6177940 0.89 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1KDM4EPOLBNPC1
SCHEMBL27459818 0.73 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1KDM4EPOLBNPC1
SCHEMBL18908832 0.72 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1KDM4EPOLBNPC1
SCHEMBL6175885 0.70 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1KDM4EPOLBNPC1
SCHEMBL24485258 0.70 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1KDM4EPOLBNPC1
SCHEMBL20627657 0.69 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1KDM4EPOLBNPC1
SCHEMBL6176640 0.69 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1KDM4EPOLBNPC1
SCHEMBL20434181 0.69 NPC1 (0.45) SMN1; SMN2ALDH1A1KDM4EPOLBNPC1
SCHEMBL6176968 0.68 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1KDM4EPOLBNPC1
SCHEMBL6175108 0.68 DYRK1A (0.41) SMN1; SMN2ALDH1A1KDM4EPOLBNPC1

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 5 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
US-5783522-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-07-21 US 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