SCHEMBL21022112

SCHEMBL21022112

C=C(Nc1cccc(C#N)c1)c1cc(C)ccc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
IDO1 P14902 1/20 0.47
KCNJ6 P48051 1/20 0.46
KCNJ5 P48544 1/20 0.46
KCNJ3 P48549 1/20 0.46
HTT P42858 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
BRAF P15056 1/20 0.45
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
MAPK14 Q16539 1/20 0.44
LMNA P02545 2/20 0.43
P2RX1 P51575 1/20 0.42

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
SCHEMBL21021256 0.86 IDO1 (0.48) MAPTALDH1A1MEN1KMT2AIDO1
SCHEMBL8086756 0.80 MAPT (0.50) MAPTALDH1A1MEN1KMT2AIDO1
SCHEMBL21021371 0.77 MEN1 (0.43) ALDH1A1MEN1KMT2AHTTNPC1
SCHEMBL18160412 0.75 P2RX1 (0.60) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL21022205 0.74 TDP1 (0.48) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2894248 0.73 HTT (0.72) ALDH1A1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL4117070 0.72 MAPT (0.80) MAPTALDH1A1MEN1KMT2AKCNJ6
SCHEMBL21021603 0.72 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AHTTRAB9A
SCHEMBL21021270 0.72 SMN1; SMN2 (0.44) MAPTALDH1A1KMT2ANPC1RAB9A
SCHEMBL4113462 0.71 MAPT (0.73) MAPTALDH1A1MEN1KMT2AKCNJ6

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