SCHEMBL7318404

SCHEMBL7318404

COc1ccc(C2CCCC/C2=N\O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 1/20 0.46
RAB9A P51151 3/20 0.43
MAPT P10636 2/20 0.43
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
EPHX2 P34913 1/20 0.38
KDM1A O60341 1/20 0.38
MAOA P21397 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
SCHEMBL7318408 1.00 ALDH1A1 (0.46) ALDH1A1MAPK1KDM4ERAB9AMAPT
SCHEMBL7671664 0.82 GID4 (0.54) ALDH1A1KDM4EDDB1CRBNMEN1
SCHEMBL7305014 0.82 GID4 (0.54) ALDH1A1KDM4EDDB1CRBNMEN1
SCHEMBL1201856 0.78 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTDDB1CRBN
SCHEMBL15874872 0.78 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTDDB1CRBN
SCHEMBL1201854 0.78 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTDDB1CRBN
SCHEMBL11832797 0.77 KDM4E (0.44) ALDH1A1KDM4ELMNAKMT2AMAOA
SCHEMBL29497171 0.77 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTDDB1CRBN
Water SCHEMBL8222140 0.77 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTDDB1CRBN
SCHEMBL29497128 0.77 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTDDB1CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4153235-A HYPOGLYCEMIC, HYPOTENSIVE, ANTIINFLAMMATORY, ANTICOAGULANT, DIURETIC ACTIVITIES RICHARDSON-MERRELL INC. (US) 1979-05-08 US disclosed
US-4126613-A HYPOGLYCEMIC, HYPOTENSIVE, ANTIINFLAMMATORY, ANTICOAGULANT, DIURETIC RICHARDSON-MERRELL INC. (US) 1978-11-21 US disclosed
US-4126611-A HYPOGLYCEMIC, HYPOTENSIVE, ANTIINFLAMMATORY, ANTICOAGULANT, DIURETIC RICHARDSON-MERRELL INC. (US) 1978-11-21 US disclosed
US-4126621-A HYPOGLYCEMIC, HYPOTENSIVE, ANTIINFLAMMATORY, ANTICOAGULANT, DIURETIC RICHARDSON-MERRELL INC. (US) 1978-11-21 US disclosed
US-4126612-A HYPOGLYCEMIC, HYPOTENSIVE, ANTIINFLAMMATORY, ANTICOAGULANT, DIURETIC Retter, Eugene O. (US) 1978-11-21 US disclosed
US-4061746-A Lactamimide inhibitors of gastrointestinal hypersecretion RICHARDSON-MERRELL INC. (US) 1977-12-06 US disclosed