SCHEMBL21021646

SCHEMBL21021646

C=C(C)c1cc(NC(=C)C2C(c3ccc(C)c(F)c3)C2(C)Cl)ccc1Cl

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 2/20 0.35
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
TP53 P04637 1/20 0.32
PYGL P06737 1/20 0.30
GLA P06280 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
ATM Q13315 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL20076794 0.86 CYP2C9 (0.30) CYP2C9CYP2C19
SCHEMBL20076742 0.81 MEN1 (0.31) LMNAKMT2AMEN1ALDH1A1MAPT
SCHEMBL20076442 0.81 MEN1 (0.38) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL21022007 0.81 MEN1 (0.30) KMT2AMEN1ALDH1A1MAPT
SCHEMBL21022257 0.80 NPC1 (0.31) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL21021915 0.79 MEN1 (0.42) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL20076386 0.78 SLC9A1 (0.39)
SCHEMBL21021560 0.78 SMN1; SMN2 (0.37) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL20076565 0.75
SCHEMBL21020806 0.74 TP53 (0.30) TP53

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-3283459-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-05-22 EP disclosed