SCHEMBL28299259

SCHEMBL28299259

CC(C)(C)OC(N)=O.CC(C)c1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ KIF11 P52732 1/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ EPHX1 P07099 1/20 0.37
▸ HPGD P15428 1/20 0.37

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
SCHEMBL27890515 0.83 MEN1 (0.42) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL27647920 0.81 POLB (0.49) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL27647919 0.80 ALOX5 (0.46) ALOX5SMN1; SMN2ALDH1A1CYP1A2POLB
SCHEMBL27745565 0.80 KMT2A (0.42) ALOX5CYP1A2POLBCYP2D6CYP2C9
SCHEMBL25222547 0.76 ALOX5 (0.43) ALOX5SMN1; SMN2ALDH1A1CYP1A2POLB
SCHEMBL27828808 0.76 ALOX5 (0.43) ALOX5SMN1; SMN2ALDH1A1CYP1A2POLB
SCHEMBL25222546 0.76 ALOX5 (0.43) ALOX5SMN1; SMN2ALDH1A1CYP1A2POLB
SCHEMBL27805296 0.76 LMNA (0.43) SMN1; SMN2NPC1RAB9AMAPTMAPK1
SCHEMBL4958199 0.74 KMT2A (0.45) ALOX5SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL28485803 0.73 CA12 (0.35) MAPTCYP2D6CYP2C9LMNATSHR

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-109761902-B 6-phenanthridinone derivative and preparation method and application thereof 四川大学 2022-06-10 — — CN disclosed
CN-109761902-A 6- phenanthridines ketone derivatives and its preparation method and application 四川大学 2019-05-17 — — CN disclosed
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