SCHEMBL30396850

SCHEMBL30396850

COC(=O)/C(=C/c1cc(Oc2ccccc2)ccc1Cl)N=[N+]=[N-]

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMO O15229 1/20 0.36
▸ HDAC8 Q9BY41 4/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ PGR P06401 1/20 0.35
▸ XDH P47989 1/20 0.35
▸ STK39 Q9UEW8 3/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ ATM Q13315 1/20 0.33
▸ GCK P35557 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
SCHEMBL29015520 1.00 SMN1; SMN2 (0.37) SMN1; SMN2NPC1RAB9AKMOHDAC8
SCHEMBL24189544 1.00 SMN1; SMN2 (0.37) SMN1; SMN2NPC1RAB9AKMOHDAC8
SCHEMBL20536246 0.91 SMN1; SMN2 (0.37) SMN1; SMN2NPC1RAB9AKMOHDAC8
SCHEMBL20536245 0.91 SMN1; SMN2 (0.37) SMN1; SMN2NPC1RAB9AKMOHDAC8
SCHEMBL29015479 0.91 SMN1; SMN2 (0.37) SMN1; SMN2NPC1RAB9AKMOHDAC8
SCHEMBL29015530 0.89 KMO (0.39) KMOHDAC8HDAC1HDAC6PGR
SCHEMBL30396183 0.85 ALDH1A1 (0.42) SMN1; SMN2NPC1RAB9AHDAC8HDAC1
SCHEMBL20535655 0.84 HDAC8 (0.40) SMN1; SMN2NPC1RAB9AHDAC8HDAC6
SCHEMBL20535659 0.84 HDAC8 (0.40) SMN1; SMN2NPC1RAB9AHDAC8HDAC6
SCHEMBL23709920 0.84 NPC1 (0.37) SMN1; SMN2NPC1RAB9AHDAC8HPGD

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-4165037-A1 ANTI-VIRAL COMPOUNDS FOR TREATING CORONAVIRUS, PICORNAVIRUS, AND NOROVIRUS INFECTIONS Aligos Therapeutics, Inc. (US) 2023-04-19 — — EP disclosed
Send feedback