SCHEMBL20076738

SCHEMBL20076738

C=C(Nc1ccc(F)c(NC(=C)C(C)(C)F)c1F)c1cc(C)ccc1C

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.30
MAP2K2 P36507 1/20 0.30
MAP2K1 Q02750 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL20077004 0.89 KDM4E (0.36) DHODHSMN1; SMN2ALDH1A1LMNATHRB
SCHEMBL24022917 0.84 ALDH1A1 (0.36) DHODHSMN1; SMN2ALDH1A1LMNATHRB
SCHEMBL20076572 0.80 IDH1 (0.40) DHODHSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL20076366 0.79 LMNA (0.31) ALDH1A1LMNATHRBNPSR1KDM4E
SCHEMBL20076380 0.79 MEN1 (0.35) DHODHSMN1; SMN2ALDH1A1LMNATHRB
SCHEMBL21020826 0.78 MEN1 (0.43) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL20076513 0.76 MEN1 (0.36) DHODHSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL20076942 0.74 ALDH1A1 (0.35) DHODHSMN1; SMN2ALDH1A1LMNATHRB
SCHEMBL21020636 0.73 SMN1; SMN2 (0.46) DHODHSMN1; SMN2ALDH1A1LMNANPSR1
SCHEMBL20076593 0.71 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1LMNANPSR1MEN1

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-2018071327-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-04-19 WO disclosed