SCHEMBL21022200

SCHEMBL21022200

C=C(Nc1ccc(C)cn1)c1cc(C)ccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.54
LMNA P02545 2/20 0.54
RAB9A P51151 11/20 0.52
NPC1 O15118 8/20 0.52
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 4/20 0.46
KMT2A Q03164 3/20 0.45
POLB P06746 2/20 0.43
TP53 P04637 3/20 0.42
GAA P10253 2/20 0.42
GLA P06280 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PKM P14618 1/20 0.42
SORT1 Q99523 1/20 0.41
MEN1 O00255 2/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 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
SCHEMBL21020730 0.79 RAB9A (0.42) KDM4ELMNARAB9ANPC1SMN1; SMN2
SCHEMBL21020549 0.76 TDP1 (0.44) LMNARAB9ANPC1MAPTSMN1; SMN2
SCHEMBL21021193 0.73 KMT2A (0.40) RAB9ANPC1MAPTSMN1; SMN2KMT2A
SCHEMBL21021757 0.73 MEN1 (0.54) RAB9AMAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL21019686 0.73 RAB9A (0.42) KDM4ELMNARAB9ANPC1MAPT
SCHEMBL19651332 0.72 KDM4E (0.70) KDM4ELMNARAB9ANPC1MAPT
SCHEMBL16883496 0.72 KDM4E (0.62) KDM4ELMNARAB9ANPC1MAPT
SCHEMBL18160436 0.72 RAB9A (0.67) KDM4ELMNARAB9ANPC1MAPT
SCHEMBL19121973 0.72 RAB9A (0.63) KDM4ELMNARAB9ANPC1MAPT
SCHEMBL21022158 0.72 RORC (0.47) KDM4ELMNARAB9ANPC1MAPT

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