SCHEMBL9150413

SCHEMBL9150413

[c]1c[nH]nc1-c1cc(-c2ccccc2)on1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.57
NPC1 O15118 6/20 0.57
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
CXCR1 P25024 6/20 0.46
PTGS2 P35354 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HPGDS O60760 1/20 0.42
CYP1A2 P05177 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
NFKB1 P19838 1/20 0.41
CYP2C19 P33261 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
SCHEMBL700190 0.74 ALOX15 (0.39) RAB9ANPC1ALDH1A1L3MBTL1CYP1A2
3,5-Diphenylisoxazole SCHEMBL1421260 0.74 NPC1 (1.00) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL8258186 0.73 NPC1 (0.96) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL715959 0.71 RAB9A (0.65) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL715960 0.69 NPC1 (0.79) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL17084387 0.69 NPC1 (1.00) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL17084385 0.69 NPC1 (1.00) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL19196256 0.68 RAB9A (0.78) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL21067367 0.68 NPC1 (0.65) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL28662125 0.67 NPC1 (0.81) RAB9ANPC1CASP3SENP8SENP7

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
EP-0686152-A1 ORTHO-SUBSTITUTED 2-METHOXYIMINOPHENYLACETIC ACID METHYLAMIDES BASF AG (DE) 1995-12-13 EP disclosed