SCHEMBL10695059

SCHEMBL10695059

Cc1ccccc1-c1nc(C#N)c(C#N)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
NPC1 O15118 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
DCUN1D1 Q96GG9 2/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
USP8 P40818 2/20 0.40
GAA P10253 4/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
SLC9A1 P19634 1/20 0.39
KDM5A P29375 1/20 0.38
MAPK1 P28482 1/20 0.38
NPBWR1 P48145 1/20 0.38
USP7 Q93009 1/20 0.38

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
SCHEMBL10696465 0.81 PTGES (0.49) ALDH1A1NPC1HPGDHTTRAB9A
SCHEMBL11572709 0.81 ALDH1A1 (0.49) ALDH1A1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL10697442 0.81 ALDH1A1 (0.49) ALDH1A1NPC1HPGDHTTRAB9A
SCHEMBL10695343 0.77 PARP1 (0.45) ALDH1A1HPGDMEN1KMT2AGAA
SCHEMBL10694398 0.77 SLC9A1 (0.54) ALDH1A1NPC1HPGDHTTRAB9A
SCHEMBL7074324 0.76 ALDH1A1 (0.49) ALDH1A1NPC1HPGDHTTRAB9A
SCHEMBL1221425 0.75 DYRK1A (0.43) ALDH1A1NPC1HPGDRAB9AGAA
SCHEMBL10697291 0.73 ERBB2 (0.47) ALDH1A1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL12075544 0.73 ALDH1A1 (0.42) ALDH1A1RAB9AMEN1KMT2AUSP8
SCHEMBL10771545 0.72 ALDH1A1 (0.46) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A

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-0269238-A1 Imidazoles and their compositions for plant growth regulation MAY & BAKER LIMITED (GB) 1988-06-01 EP disclosed