SCHEMBL9817860

SCHEMBL9817860

O=C(OCl)c1cccc2ccc(Cl)nc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
PARP1 P09874 5/20 0.41
SLC40A1 Q9NP59 1/20 0.39
KDR P35968 2/20 0.38
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
LMNA P02545 3/20 0.36
ALOX12 P18054 1/20 0.36
METAP2 P50579 1/20 0.35
METAP1 P53582 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MAPT P10636 2/20 0.34
PLAU P00749 1/20 0.34
HTT P42858 1/20 0.34
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL12768665 0.85 KDM4E (0.47) ALDH1A1PARP1SLC40A1LMNAGAA
SCHEMBL27690418 0.81 PARP1 (0.41) ALDH1A1PARP1SLC40A1PIM1LMNA
SCHEMBL27562363 0.81 PARP1 (0.45) ALDH1A1PARP1SLC40A1KDRPIM1
SCHEMBL1032809 0.81 SLC40A1 (0.49) ALDH1A1PARP1SLC40A1LMNAALOX12
SCHEMBL15228723 0.79 PARP1 (0.47) ALDH1A1PARP1SLC40A1KDRPIM1
SCHEMBL3441534 0.79 ALDH1A1 (0.67) ALDH1A1PARP1SLC40A1KDRLMNA
SCHEMBL17442683 0.79 PARP1 (0.65) PARP1PIM1
Ammonia Solution, Strong SCHEMBL27755207 0.79 SLC40A1 (0.48) ALDH1A1PARP1SLC40A1LMNAALOX12
SCHEMBL27775909 0.77 TSHR (0.57) ALDH1A1PARP1LMNASMN1; SMN2L3MBTL1
SCHEMBL15228570 0.75 PTPN1 (0.51) PARP1SLC40A1KDRPIM1PIM2

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
JP-3141204-A None JP disclosed
JP-H03141204-A HERBICIDE COMPOSITION TOKUYAMA SODA CO LTD 1991-06-17 JP disclosed