SCHEMBL28705670

SCHEMBL28705670

Cc1cn(N(C)C)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 5/20 0.49
▸ KDM4E B2RXH2 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ NQO2 P16083 1/20 0.40
▸ HTR6 P50406 1/20 0.39
▸ GPR3 P46089 1/20 0.38
▸ ALKBH5 Q6P6C2 1/20 0.37
▸ FTO Q9C0B1 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ FABP4 P15090 2/20 0.36
▸ SLC6A4 P31645 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HDAC9 Q9UKV0 1/20 0.35
▸ GPR84 Q9NQS5 1/20 0.34

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
SCHEMBL27383723 0.78 SLC6A2 (0.59) SLC6A2MEN1KMT2AHTR6SLC6A4
SCHEMBL11464649 0.75 HTR6 (0.46) KDM4EHTR6CYP1A2SMN1; SMN2
SCHEMBL14141407 0.74 SLC6A2 (0.43) SLC6A2KDM4EMEN1KMT2ANQO2
SCHEMBL29473770 0.71 GPR84 (0.57) KDM4EKMT2ANQO2GPR3ALKBH5
SCHEMBL3841620 0.71 HTR6 (0.46) SLC6A2KDM4EMEN1KMT2ANQO2
SCHEMBL146530 0.71 GPR84 (0.57) KDM4EKMT2ANQO2GPR3ALKBH5
SCHEMBL26979956 0.71 CA2 (0.42) KDM4EHTR6
SCHEMBL1093988 0.71 GPR84 (0.43) SLC6A2HTR6GPR84
SCHEMBL6114157 0.70 SLC6A2 (0.43) SLC6A2KDM4EMEN1KMT2ANQO2
SCHEMBL18509203 0.70 SLC6A2 (0.43) SLC6A2KDM4EMEN1KMT2ANQO2

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
CN-110240533-B Preparation method of N, N-dimethyl sulfonamide derivative 河南科技大学 2022-03-18 — — CN disclosed
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