SCHEMBL28357458

SCHEMBL28357458

CCOC(=O)c1nn(C)c2cccc(F)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ELANE P08246 10/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 2/20 0.47
GAA P10253 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GLA P06280 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
F2 P00734 1/20 0.45
PLAU P00749 1/20 0.45
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL28361133 0.80 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL20520454 0.79 ELANE (0.41) ELANENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL21324100 0.79 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AELANENPC1
SCHEMBL6705737 0.77 ELANE (0.70) ELANEKDM4EF2PLAU
SCHEMBL16884642 0.76 ELANE (0.49) ELANE
SCHEMBL6919316 0.75 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ARAB9AGAA
SCHEMBL15570875 0.73 RORC (0.59)
SCHEMBL17430272 0.73 NPSR1 (0.56) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL28159924 0.72 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ANPC1KDM4E
SCHEMBL24047230 0.72 MAPT (0.51) ALDH1A1MEN1KMT2AELANENPC1

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
CN-110506038-A PESTICIDAL COMPOUNDS BASF SE 2019-11-26 CN disclosed