SCHEMBL30603084

SCHEMBL30603084

O=[N+]([O-])c1ccccc1/C=C1/CNc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ MITF O75030 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ TDP2 O95551 1/20 0.47
▸ CASP7 P55210 1/20 0.47
▸ CASP9 P55211 1/20 0.47
▸ CASP6 P55212 1/20 0.47
▸ CASP8 Q14790 1/20 0.47
▸ XDH P47989 2/20 0.47
▸ SOS1 Q07889 1/20 0.44
▸ NPC1 O15118 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ RAB9A P51151 1/20 0.41

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
SCHEMBL13719503 0.76 DYRK2 (0.61) MAPTSMN1; SMN2ALDH1A1MITFLMNA
SCHEMBL19348947 0.76 DYRK2 (0.61) MAPTSMN1; SMN2ALDH1A1MITFLMNA
SCHEMBL13719504 0.76 DYRK2 (0.61) MAPTSMN1; SMN2ALDH1A1MITFLMNA
SCHEMBL30955850 0.75 MAPT (0.35) MAPTALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL16426792 0.74 IKBKB (0.54) MAPTALDH1A1LMNAHTTNPC1
SCHEMBL16426791 0.74 IKBKB (0.54) MAPTALDH1A1LMNAHTTNPC1
SCHEMBL28129799 0.73 MAOB (0.43) MAPTSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL9484204 0.72 MAPT (0.33) MAPTCA12
SCHEMBL28628275 0.72 MAPT (0.33) MAPTCA12
SCHEMBL27515150 0.72 SOS1 (0.68) MAPTSMN1; SMN2ALDH1A1MITFLMNA

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-116836164-A 2-indoline imine spiro-pyrrolidone compound and crystal form, preparation method and application thereof 成都大学 2023-10-03 — — CN claimed
CN-116836164-A 2-indoline imine spiro-pyrrolidone compound and crystal form, preparation method and application thereof 成都大学 2023-10-03 — — CN disclosed
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