SCHEMBL22854288

SCHEMBL22854288

CCc1ccc(N2CCOC(C)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MAPT P10636 3/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ LMNA P02545 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TDP1 Q9NUW8 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ CTDSP1 Q9GZU7 1/20 0.41
▸ MAPK1 P28482 1/20 0.39
▸ ATM Q13315 4/20 0.39
▸ PIK3C3 Q8NEB9 2/20 0.39
▸ PRKDC P78527 2/20 0.39
▸ ATR Q13535 1/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NR3C2 P08235 1/20 0.37
▸ PIK3CA P42336 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
SCHEMBL21396407 0.86 ATM (0.38) NPC1RAB9AL3MBTL1ATMPIK3C3
SCHEMBL10175527 0.82 ATM (0.43) ATMPIK3C3PRKDCATRPIK3CA
SCHEMBL21256947 0.81 ADRB1 (0.43) ALDH1A1NPC1RAB9AKDM4EMAPT
SCHEMBL21256942 0.81 ADRB1 (0.43) ALDH1A1NPC1RAB9AKDM4EMAPT
SCHEMBL17642395 0.80 MAPT (0.42) ALDH1A1NPC1RAB9AKDM4EMAPT
SCHEMBL21204374 0.80 MAPT (0.42) ALDH1A1NPC1RAB9AKDM4EMAPT
SCHEMBL14167561 0.80 MAPT (0.46) ALDH1A1NPC1RAB9AKDM4EMAPT
SCHEMBL19863416 0.80 AKR1C3 (0.41) ALDH1A1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL14167611 0.80 AKR1C3 (0.41) ALDH1A1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL19863415 0.80 AKR1C3 (0.41) ALDH1A1RAB9AKDM4EMAPTSMN1; SMN2

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
WO-2020261294-A1 NOVEL APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS MANKIND PHARMA LTD. (IN) 2020-12-30 — — WO disclosed
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