SCHEMBL8705142

SCHEMBL8705142

COc1ccc(-n2cccc2)cc1C(=O)NC(=N)N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 3/20 0.41
KMT2A Q03164 2/20 0.41
MRGPRX1 Q96LB2 1/20 0.41
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 2/20 0.39
AOC2 O75106 2/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39

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
SCHEMBL8701429 0.95 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2L3MBTL1GAAKMT2A
SCHEMBL8701419 0.81 ALDH1A1 (0.48) ALDH1A1L3MBTL1GAAMAPTKDM4E
SCHEMBL7830164 0.79 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2L3MBTL1GAAKMT2A
SCHEMBL5323825 0.78 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2MAPTKDM4EPOLB
SCHEMBL8701432 0.77 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2L3MBTL1GAAKMT2A
SCHEMBL8706316 0.77 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2L3MBTL1GAAKMT2A
Guanidine SCHEMBL8701424 0.77 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2L3MBTL1GAAKMT2A
SCHEMBL7826071 0.76 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2TUBB4ATUBBTUBA3C
SCHEMBL8703970 0.76 SIRT6 (0.41) ALDH1A1SMN1; SMN2KMT2AMAPTKDM4E
Hydrochloric Acid SCHEMBL8705159 0.75 SIRT6 (0.40) ALDH1A1SMN1; SMN2KMT2AMAPTKDM4E

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
US-5824691-A CARDIOVASCULAR, CEREBROVASCULAR, RENAL DISEASES; SHOCK, ARTERIOSCLEROSIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-20 US disclosed