SCHEMBL21022158

SCHEMBL21022158

C=C(Nc1ccccc1C)c1cc(C)ccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.47
LMNA P02545 3/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
RAB9A P51151 5/20 0.44
NPC1 O15118 3/20 0.42
TAS1R3 Q7RTX0 2/20 0.42
TAS1R1 Q7RTX1 2/20 0.42
TAS1R2 Q8TE23 2/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 2/20 0.40
F12 P00748 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL21021155 0.83 GAA (0.61) LMNAMAPTALDH1A1HPGDRAB9A
SCHEMBL21020935 0.82 RORC (0.54) RORCLMNAPOLBMAPTALDH1A1
SCHEMBL18160281 0.82 RORC (0.67) RORCLMNAPOLBMAPTALDH1A1
SCHEMBL21021569 0.81 TAS1R3 (0.44) LMNAMAPTALDH1A1RAB9ANPC1
SCHEMBL21021193 0.80 KMT2A (0.40) POLBMAPTHPGDRAB9ANPC1
SCHEMBL21019686 0.80 RAB9A (0.42) LMNAMAPTRAB9ANPC1TAS1R3
SCHEMBL21021625 0.79 RAB9A (0.41) LMNAMAPTALDH1A1HPGDRAB9A
SCHEMBL21020549 0.78 TDP1 (0.44) LMNAPOLBMAPTALDH1A1HPGD
SCHEMBL21022264 0.77 L3MBTL1 (0.41) ALDH1A1HPGDRAB9ANPC1TAS1R3
SCHEMBL21021757 0.77 MEN1 (0.54) MAPTALDH1A1HPGDRAB9AKMT2A

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