SCHEMBL26677915

SCHEMBL26677915

CN1CC2CC1CN2c1ccc([N+](=O)[O-])c(C2CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.38
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ SIRT6 Q8N6T7 2/20 0.34
▸ HSD11B1 P28845 2/20 0.34
▸ KCNH2 Q12809 3/20 0.34
▸ CHRNA7 P36544 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL22652110 1.00 MAPT (0.38) MAPTALDH1A1CYP1A2CYP2C19L3MBTL1
SCHEMBL22652044 0.82 ALDH1A1 (0.36) MAPTALDH1A1CYP1A2CYP2C19L3MBTL1
SCHEMBL22652198 0.82 ALDH1A1 (0.36) MAPTALDH1A1CYP1A2CYP2C19L3MBTL1
SCHEMBL25208776 0.82 AKR1C3 (0.35) MAPTALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL22652007 0.80 KCNH2 (0.35) MAPTALDH1A1CYP1A2CYP2C19L3MBTL1
SCHEMBL30411352 0.79 HSD11B1 (0.45) MAPTALDH1A1HSD11B1
SCHEMBL22652209 0.78 KCNH2 (0.37) KCNH2CHRNA7
SCHEMBL26678178 0.78 KCNH2 (0.37) KCNH2CHRNA7
SCHEMBL30900358 0.78 TUBB4A (0.44) MAPTALDH1A1SIRT6HSD11B1MAPK1
SCHEMBL11905273 0.78 SIRT6 (0.44) MAPTALDH1A1SIRT6

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
WO-2023215494-A1 THIOPHENE ULK1/2 INHIBITORS AND THEIR USE THEREOF ERASCA, INC. (US) 2023-11-09 — — WO disclosed
EP-3966207-B1 PHENYLAMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS LLC (US) 2023-11-01 — — EP disclosed
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