SCHEMBL21021256

SCHEMBL21021256

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.48
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KCNJ6 P48051 1/20 0.45
KCNJ5 P48544 1/20 0.45
KCNJ3 P48549 1/20 0.45
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
BRAF P15056 1/20 0.43
MAPK14 Q16539 3/20 0.42
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
LMNA P02545 2/20 0.41
P2RX1 P51575 1/20 0.41

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
SCHEMBL21022112 0.86 MAPT (0.48) IDO1ALDH1A1MAPTMEN1KMT2A
SCHEMBL21021263 0.74 RAPGEF4 (0.39) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL21022138 0.73 NPC1 (0.42) IDO1ALDH1A1MAPTMEN1KMT2A
SCHEMBL18146894 0.73 P2RX1 (0.60) IDO1ALDH1A1MAPTMEN1KMT2A
SCHEMBL8086756 0.72 MAPT (0.50) IDO1ALDH1A1MAPTMEN1KMT2A
SCHEMBL12694511 0.72 KMT2A (0.72) IDO1ALDH1A1MAPTMEN1KMT2A
SCHEMBL2894248 0.71 HTT (0.72) ALDH1A1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL24987217 0.71 MAPT (0.80) IDO1ALDH1A1MAPTMEN1KMT2A
SCHEMBL6816820 0.71 MAPT (0.77) IDO1ALDH1A1MAPTMEN1KMT2A
SCHEMBL21021740 0.70 PDE10A (0.38) ALDH1A1MAPTMEN1KMT2APDK1

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