SCHEMBL29177263

SCHEMBL29177263

O=[N+]([O-])c1cc(CN2CCOCC2)cc(OC(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.53
▸ LMNA P02545 4/20 0.53
▸ KCNJ1 P48048 3/20 0.53
▸ MAPT P10636 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ CTSB P07858 1/20 0.45
▸ ABL1 P00519 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HTT P42858 1/20 0.40

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
SCHEMBL30695916 1.00 ALDH1A1 (0.53) ALDH1A1LMNAKCNJ1MAPTSMN1; SMN2
SCHEMBL29177423 0.83 ALDH1A1 (0.53) ALDH1A1LMNAKCNJ1MAPTSMN1; SMN2
SCHEMBL29739553 0.83 ALDH1A1 (0.53) ALDH1A1LMNAKCNJ1MAPTSMN1; SMN2
SCHEMBL19419599 0.83 ALDH1A1 (0.69) ALDH1A1LMNAKCNJ1MAPTSMN1; SMN2
SCHEMBL922222 0.81 KCNJ1 (0.57) ALDH1A1LMNAKCNJ1MAPTSMN1; SMN2
SCHEMBL30697195 0.81 KCNJ1 (0.57) ALDH1A1LMNAKCNJ1MAPTSMN1; SMN2
SCHEMBL29177214 0.81 KDM4E (0.48) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL30695907 0.81 KDM4E (0.48) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL27292140 0.78 KCNH2 (0.47) ALDH1A1MAPTSMN1; SMN2ABL1KCNH2
SCHEMBL29947806 0.77 ALDH1A1 (0.65) ALDH1A1LMNAKCNJ1MAPTSMN1; 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
CN-117242060-A Isoindolinone compounds 蒙特罗萨医疗公司 2023-12-15 — — CN disclosed
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