SCHEMBL24201222

SCHEMBL24201222

CNCCCC(=O)NCCCC(=O)NCCOCCOCC(=O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.41
▸ GLP1R P43220 8/20 0.38
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CA12 O43570 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA4 P22748 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ CA14 Q9ULX7 2/20 0.33
▸ RECQL P46063 1/20 0.33
▸ HPGD P15428 1/20 0.32
▸ FAAH O00519 1/20 0.32
▸ CASP2 P42575 1/20 0.32
▸ LPAR1 Q92633 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
SCHEMBL12981321 0.85 MEN1 (0.38) TSHRGLP1RMEN1KMT2ASMN1; SMN2
SCHEMBL23446432 0.84 TSHR (0.35) TSHRGLP1RMEN1KMT2ARECQL
SCHEMBL22675545 0.84 GLP1R (0.47) TSHRGLP1RMEN1KMT2A
SCHEMBL24253207 0.84 TSHR (0.44) TSHRGLP1RMEN1KMT2ASMN1; SMN2
SCHEMBL20993448 0.84 GLP1R (0.37) TSHRGLP1RMEN1KMT2ACA12
SCHEMBL16418488 0.82 MEN1 (0.36) MEN1KMT2ASMN1; SMN2
SCHEMBL19239046 0.82 MEN1 (0.36) MEN1KMT2ASMN1; SMN2
SCHEMBL24193595 0.81 MEN1 (0.37) TSHRGLP1RMEN1KMT2ASMN1; SMN2
SCHEMBL21087027 0.81 GLP1R (0.39) TSHRGLP1RMEN1KMT2ACA12
SCHEMBL19017546 0.81 GLP1R (0.53) GLP1RFAAHCASP2LPAR1

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-3939591-A1 QUINAZOLINE AND INDOLE COMPOUNDS TO TREAT MEDICAL DISORDERS Achillion Pharmaceuticals, Inc. (US) 2022-01-19 — — EP disclosed
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