SCHEMBL21021337

SCHEMBL21021337

C=C(c1cc(C)ccc1C)N(C)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 5/20 0.39
TSHR P16473 2/20 0.39
HSD17B1 P14061 3/20 0.38
HSD17B2 P37059 3/20 0.38
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALOX15 P16050 1/20 0.34
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PLAU P00749 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL21020577 0.84 CSNK2A1 (0.46) MEN1KMT2AALDH1A1TSHRHSD17B1
SCHEMBL21021316 0.83 ALDH1A1 (0.36) MEN1KMT2AALDH1A1TSHRHSD17B1
SCHEMBL21021110 0.78 PDK2 (0.37) MEN1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL21021872 0.77 MEN1 (0.46) MEN1KMT2ATSHRRAB9ASMN1; SMN2
SCHEMBL21953730 0.75 MEN1 (0.38) MEN1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL21021848 0.74 CASP1 (0.36) ALDH1A1TSHRALOX15MAPTTDP1
SCHEMBL21022102 0.73 ALDH1A1 (0.34) MEN1KMT2AALDH1A1TSHRHSD17B1
SCHEMBL23864606 0.70 TP53 (0.34) MEN1KMT2AALDH1A1ALOX15PLAU
SCHEMBL8154014 0.70 MEN1 (0.46) MEN1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL14174821 0.70 ALDH1A1 (0.50) MEN1KMT2AALDH1A1TSHRHSD17B1

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