SCHEMBL30855572

SCHEMBL30855572

C[Si](C)(C)CCOCn1ncc2ccc(I)cc21

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 5/20 0.36
▸ HTR2C P28335 5/20 0.36
▸ HTR2B P41595 4/20 0.36
▸ DGAT1 O75907 3/20 0.35
▸ HTR1A P08908 2/20 0.35
▸ ADRA2A P08913 2/20 0.35
▸ ADRA2B P18089 2/20 0.35
▸ ADRA2C P18825 2/20 0.35
▸ HTR1D P28221 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ HTR4 Q13639 1/20 0.35
▸ KMO O15229 6/20 0.34
▸ BRD4 O60885 5/20 0.32
▸ NPC1 O15118 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
SCHEMBL2144622 1.00 HTR2A (0.36) HTR2AHTR2CHTR2BDGAT1HTR1A
SCHEMBL759941 0.89 DGAT1 (0.35) HTR2AHTR2CDGAT1KMONPC1
SCHEMBL16437423 0.84 KMO (0.50) HTR2AHTR2CHTR2BDGAT1HTR1A
SCHEMBL30385717 0.84 KMO (0.48) HTR2AHTR2CHTR2BDGAT1HTR1A
SCHEMBL30485520 0.84 HTR2A (0.39) HTR2AHTR2CHTR2BDGAT1HTR1A
SCHEMBL2144138 0.84 HTR2A (0.39) HTR2AHTR2CHTR2BDGAT1HTR1A
SCHEMBL2318217 0.84 KMO (0.48) HTR2AHTR2CHTR2BDGAT1HTR1A
SCHEMBL30032612 0.81 DGAT1 (0.37) HTR2AHTR2CHTR2BDGAT1HTR1A
SCHEMBL29365472 0.80 RECQL (0.47) ADRA2AKMONPC1
SCHEMBL27718799 0.80 RECQL (0.47) ADRA2AKMONPC1

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-113121509-B JAK inhibitor compounds and uses thereof 河南迈英诺医药科技有限公司 2024-04-26 — — CN disclosed
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