SCHEMBL30636415

SCHEMBL30636415

CCCCCCN(NC(=O)OC(C)(C)C)c1cnc2ccccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CKS1B P61024 1/20 0.41
▸ SKP1 P63208 1/20 0.41
▸ SKP2 Q13309 1/20 0.41
▸ TRPV1 Q8NER1 6/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HDAC4 P56524 2/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HDAC3 O15379 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37

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
SCHEMBL26677372 0.84 TRPV1 (0.43) TRPV1GAASMN1; SMN2
SCHEMBL19787855 0.71 AKT1 (0.54) HDAC1HDAC3HDAC2AKT1
SCHEMBL26677368 0.70 KDM4E (0.43) TRPV1RAB9ANPC1SMN1; SMN2
SCHEMBL25278637 0.69 CA12 (0.46) MEN1GAAKMT2A
SCHEMBL29283681 0.66 AKT1 (0.54) MEN1KMT2AAKT1
SCHEMBL26677370 0.66 NPC1 (0.59) RAB9AMEN1NPC1GAAKMT2A
SCHEMBL976832 0.66 CA12 (0.43) —
SCHEMBL17108644 0.65 AKT1 (0.49) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL20515502 0.65 AKT1 (0.42) CKS1BSKP1SKP2RAB9AMEN1
SCHEMBL24289992 0.64 MEN1 (0.46) CKS1BSKP1SKP2MEN1KMT2A

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-3990568-B1 NEW POLYMERIZABLE LIQUID CRYSTAL HAVING A QUINOXALINE-HYDRAZONE CORE ROLIC TECH AG (CH) 2023-11-15 — — EP disclosed
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