SCHEMBL23868267

SCHEMBL23868267

C/N=C/c1ccc(CN=C(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 2/20 0.38
▸ NOS3 P29474 1/20 0.38
▸ NOS1 P29475 1/20 0.38
▸ GRIN1 Q05586 7/20 0.35
▸ GRIN2B Q13224 7/20 0.35
▸ CA2 P00918 4/20 0.34
▸ CA1 P00915 2/20 0.33
▸ MAOA P21397 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ SENP8 Q96LD8 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33
▸ GRIN2D O15399 1/20 0.32
▸ GRIN3B O60391 1/20 0.32
▸ GRIN2A Q12879 1/20 0.32
▸ GRIN2C Q14957 1/20 0.32
▸ GRIN3A Q8TCU5 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
SCHEMBL13308789 0.81 NOS2 (0.50) NOS2NOS3NOS1GRIN1GRIN2B
SCHEMBL22728745 0.79 NOS2 (0.42) NOS2NOS3NOS1GRIN1GRIN2B
SCHEMBL22389454 0.73 SMN1; SMN2 (0.48) GRIN1GRIN2BNPC1RAB9ASMN1; SMN2
SCHEMBL22109775 0.73 MAOA (0.50) MAOANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL23642467 0.73 MAOA (0.50) MAOANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL104888 0.70 NOS2 (0.65) NOS2NOS3NOS1GRIN1GRIN2B
SCHEMBL13086509 0.69 GRIN2D (0.45) GRIN1GRIN2BCA2CA1MAOA
SCHEMBL24170738 0.69 ALDH1A1 (0.36) GRIN1GRIN2BNPC1RAB9ASMN1; SMN2
SCHEMBL9880047 0.68 MIF (0.53) NOS3GRIN2BCA2CA1SMN1; SMN2
SCHEMBL2494023 0.68 MAPT (0.64) CA2NPC1RAB9ASMN1; SMN2ALDH1A1

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-20210305522-A1 LIGHT DETECTING ELEMENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-09-30 — — US disclosed
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