SCHEMBL28473652

SCHEMBL28473652

CC(=O)N1N=C(c2ccc(O)cc2)CC1c1ccccc1

nearest known ligand 0.87

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 7/20 0.79
▸ MAOA P21397 6/20 0.79
▸ NT5E P21589 1/20 0.79
▸ KIF11 P52732 1/20 0.75
▸ NPC1 O15118 1/20 0.75
▸ RAB9A P51151 1/20 0.75
▸ ACHE P22303 2/20 0.73
▸ EGFR P00533 2/20 0.71

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
SCHEMBL27790760 0.95 MAOB (0.79) MAOBMAOANT5EKIF11ACHE
SCHEMBL1658926 0.92 NT5E (0.82) MAOBNT5EKIF11NPC1RAB9A
SCHEMBL27790758 0.88 MAOA (1.00) MAOBMAOANPC1RAB9AACHE
SCHEMBL1659394 0.86 MAPT (0.81) MAOBMAOANT5EKIF11NPC1
SCHEMBL27790823 0.85 MAOA (1.00) MAOBMAOANPC1RAB9AEGFR
SCHEMBL14133479 0.84 MAOA (0.64) MAOBMAOANT5EKIF11NPC1
SCHEMBL27276968 0.83 KIF11 (0.74) MAOBMAOAKIF11ACHE
SCHEMBL3624616 0.83 NT5E (0.72) MAOBMAOANT5EKIF11NPC1
SCHEMBL14136329 0.82 KDM4E (0.74) NT5ENPC1RAB9AACHEEGFR
SCHEMBL27276997 0.82 MAOB (0.76) MAOBMAOAKIF11

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
CN-108752412-B Boswellic acid derivatives and their use 沈阳药科大学 2020-10-13 — — CN claimed
CN-108752412-B Boswellic acid derivatives and their use 沈阳药科大学 2020-10-13 — — CN disclosed
Send feedback