SCHEMBL31298987

SCHEMBL31298987

C(#Cc1ccc(/C=C/c2ccncc2)cc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.55
▸ APP P05067 1/20 0.48
▸ MAPT P10636 5/20 0.46
▸ NPC1 O15118 4/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ HBB P68871 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ GRM5 P41594 1/20 0.45
▸ CYP11B2 P19099 2/20 0.44

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
SCHEMBL11550295 0.85 FFAR1 (0.64) FFAR1APPMAPTMEN1KMT2A
SCHEMBL5572568 0.83 NPC1 (0.48) FFAR1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL5572572 0.83 NPC1 (0.48) FFAR1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL24759909 0.83 CYP11B2 (0.60) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL17224548 0.83 APP (0.63) FFAR1APPMAPTGRM5
SCHEMBL11548470 0.83 FFAR1 (0.61) FFAR1APPMAPTMEN1KMT2A
Diphenylacetylene SCHEMBL15666790 0.80 APP (0.67) FFAR1APPMAPTMEN1KMT2A
SCHEMBL1880739 0.80 CYP11B2 (0.62) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL2925968 0.80 APP (0.67) FFAR1APPMAPTNPC1SMN1; SMN2
SCHEMBL1509973 0.80 CYP11B2 (0.62) MAPTNPC1RAB9ASMN1; SMN2HPGD

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-119409981-A Cadmium coordination polymer capable of regulating and controlling photo-stimulus response behavior through thermal phase change, and preparation method and application thereof 广西民族大学 2025-02-11 — — CN disclosed
CN-119409981-A Cadmium coordination polymer capable of regulating and controlling photo-stimulus response behavior through thermal phase change, and preparation method and application thereof 广西民族大学 2025-02-11 — — CN disclosed
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