SCHEMBL9739031

SCHEMBL9739031

Cc1cc(Cl)nc(N(C(N)=O)c2ccccc2Br)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
LMNA P02545 1/20 0.36
ALDH1A1 P00352 4/20 0.33
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
CD38 P28907 1/20 0.33
MAPK14 Q16539 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
CYP1A2 P05177 1/20 0.33
CASP1 P29466 1/20 0.33
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
MAPT P10636 2/20 0.32

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
SCHEMBL10458605 0.81 KMT2A (0.40) KMT2ALMNAALDH1A1MEN1HTT
SCHEMBL10482784 0.80 KMT2A (0.35) KMT2ALMNAALDH1A1HCRTR1HCRTR2
SCHEMBL9738164 0.79 KMT2A (0.40) KMT2ALMNAALDH1A1HCRTR1HCRTR2
SCHEMBL9739942 0.78 LMNA (0.39) KMT2ALMNAALDH1A1CD38MEN1
SCHEMBL9737569 0.77 MAPK14 (0.42) KMT2ALMNAALDH1A1HCRTR1HCRTR2
SCHEMBL9738163 0.74 HCRTR1 (0.39) KMT2ALMNAALDH1A1HCRTR1HCRTR2
SCHEMBL8795503 0.72 LMNA (0.45) KMT2ALMNAALDH1A1MEN1HTT
SCHEMBL9814539 0.71 ALDH1A1 (0.50) KMT2ALMNAALDH1A1MEN1HTT
SCHEMBL9738056 0.70 LMNA (0.45) KMT2ALMNAALDH1A1CD38MEN1
SCHEMBL27515970 0.68 PTK2 (0.36) KMT2ALMNAMEN1HTTNPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5159078-A Herbicides, plant growth regulator CIBA-GEIGY CORPORATION (US) 1992-10-27 US disclosed
US-4966622-A HERBICIDES, PLANT GROWTH REGULATORS CIBA-GEIGY CORPORATION (US) 1990-10-30 US disclosed