SCHEMBL21022183

SCHEMBL21022183

C=C(Nc1ccc(C)cn1)c1cc(NC(=C)C2C(c3cc(C)cc(Cl)c3)C2(C)O)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.41
NPC1 O15118 8/20 0.41
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 5/20 0.34
MAPT P10636 4/20 0.34
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
POLB P06746 1/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
CSF1R P07333 1/20 0.31
EPHB4 P54760 1/20 0.31
TEK Q02763 1/20 0.31
CRHR1 P34998 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
SCHEMBL21021128 0.90 NPC1 (0.31) RAB9ANPC1SMN1; SMN2CSF1R
SCHEMBL21020692 0.86 MEN1 (0.30) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL21021342 0.76
SCHEMBL21020721 0.76 SLC9A1 (0.36) RAB9ANPC1KDM4ELMNASMN1; SMN2
SCHEMBL21019722 0.75 MEN1 (0.32) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL21021313 0.75 MEN1 (0.30) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL20076742 0.74 MEN1 (0.31) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL21022200 0.73 KDM4E (0.54) RAB9ANPC1KDM4ELMNASMN1; SMN2
SCHEMBL21022022 0.73 MEN1 (0.32) LMNAALDH1A1KMT2AMEN1
SCHEMBL21021736 0.73 KMT2A (0.38) KDM4ELMNAMAPTALDH1A1POLB

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