SCHEMBL19335456

SCHEMBL19335456

CC/C=C\C(=C\C(C)C(C)CN)Nc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.35
▸ RAB9A P51151 4/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ GAA P10253 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ NOX1 Q9Y5S8 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ HPGD P15428 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ SOAT2 O75908 1/20 0.32
▸ SOAT1 P35610 1/20 0.32
▸ KDM1A O60341 1/20 0.32

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
SCHEMBL22422802 0.77 KMT2A (0.40) NPC1RAB9ASMN1; SMN2GAAMEN1
SCHEMBL19450424 0.70 TGM2 (0.42) NPC1RAB9ASMN1; SMN2GAAMEN1
SCHEMBL10470699 0.67 MAPT (0.53) NPC1RAB9ASMN1; SMN2GAAMEN1
SCHEMBL10470698 0.67 MAPT (0.53) NPC1RAB9ASMN1; SMN2GAAMEN1
SCHEMBL10817250 0.67 MMP1 (0.58) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL18674134 0.65 NAPRT (0.46) NPC1RAB9ASMN1; SMN2GAAKMT2A
SCHEMBL23543675 0.65 ALDH1A1 (0.41) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL20427814 0.65 KMT2A (0.36) SMN1; SMN2GAAMEN1KMT2AALDH1A1
SCHEMBL25839247 0.63 KMT2A (0.39) NPC1RAB9ASMN1; SMN2GAAMEN1
SCHEMBL24158449 0.63 TGM2 (0.43) SMN1; SMN2GAAMEN1KMT2AALDH1A1

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
US-9761813-B2 Organic light-emitting compound and organic electroluminescent device using same DOOSAN CORPORATION (KR) 2017-09-12 — — US disclosed
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