SCHEMBL21020645

SCHEMBL21020645

C=C(C)c1ccc(C)c(NC)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.39
HDAC8 Q9BY41 3/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
P2RX7 Q99572 3/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
AKR1C3 P42330 1/20 0.34
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
RECQL P46063 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP2C9 P11712 1/20 0.33
SORT1 Q99523 1/20 0.33

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
SCHEMBL15765691 0.82 PRKCI (0.59) PRKCIHDAC8HDAC1HDAC6NPC1
SCHEMBL24505932 0.79 HDAC8 (0.35) HDAC8HDAC1HDAC6P2RX7NPC1
SCHEMBL31484336 0.78 PRSS1 (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL1363337 0.78 PRSS1 (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL7772145 0.78 AKR1C3 (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL25682588 0.76 HDAC8 (0.49) HDAC8HDAC1HDAC6SMN1; SMN2TSHR
SCHEMBL24502392 0.76 PRKCI (0.68) PRKCIHDAC1NPC1RAB9ASMN1; SMN2
SCHEMBL3113078 0.76 MAPK14 (0.47) PRKCIHDAC8HDAC1HDAC6SMN1; SMN2
SCHEMBL20226997 0.76 HDAC1 (0.44) PRKCIHDAC1HDAC6NPC1RAB9A
SCHEMBL20133768 0.75 PRKCI (0.32) PRKCI

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