SCHEMBL10400883

SCHEMBL10400883

CCn1nccc1C(=O)c1cc(O)c(O)c(Cl)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
HPGD P15428 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RAB9A P51151 4/20 0.47
HTT P42858 3/20 0.46
NPC1 O15118 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
BCL2L11 O43521 1/20 0.32
BCL2L1 Q07817 1/20 0.32
MCL1 Q07820 1/20 0.32
NR3C1 P04150 1/20 0.32
BRD9 Q9H8M2 1/20 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
SCHEMBL9503246 0.84 MEN1 (0.47) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL10400033 0.82 HTT (0.52) KMT2ASMN1; SMN2ALDH1A1MAPTRAB9A
SCHEMBL10399119 0.74 MEN1 (0.41) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL9502467 0.72 MEN1 (0.52) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL9745131 0.71 ALDH1A1 (0.35) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL9745466 0.70 MEN1 (0.44) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL16963334 0.70 KMT2A (0.55) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL9844351 0.69 MEN1 (0.47) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL9504237 0.69 SMN1; SMN2 (0.43) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL10554694 0.68 P2RX7 (0.43) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4973600-A CONGESTIVE HEART FAILURE, GOUT, DIRUETICS, HYPERURICEMIA TANABE SEIYAKU CO., LTD. (JP) 1990-11-27 US disclosed
US-4965282-A DIURETICS TANABE SEIYAKU CO., LTD. (JP) 1990-10-23 US disclosed
EP-0329326-A1 Benzodioxole derivatives and processes for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1989-08-23 EP disclosed