SCHEMBL24317726

SCHEMBL24317726

C=C(C)C1(C)CN(Cc2ccccc2S(=O)(=O)N2CCOCC2)C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.46
TSHR P16473 1/20 0.40
NPC1 O15118 1/20 0.40
CYP2A13 Q16696 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
USP2 O75604 2/20 0.38
NAMPT P43490 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 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
SCHEMBL24316060 0.86 PTGDR2 (0.48) PTGDR2TSHRNPC1CYP2A13L3MBTL1
SCHEMBL26620168 0.84 PTGDR2 (0.47) PTGDR2TSHRNPC1CYP2A13L3MBTL1
SCHEMBL26620496 0.83 PTGDR2 (0.46) PTGDR2TSHRNPC1CYP2A13L3MBTL1
SCHEMBL27010306 0.82 PTGDR2 (0.46) PTGDR2TSHRNPC1CYP2A13L3MBTL1
SCHEMBL26620187 0.82 NPC1 (0.46) PTGDR2TSHRNPC1CYP2A13L3MBTL1
SCHEMBL26620334 0.81 PTGDR2 (0.48) PTGDR2TSHRNPC1CYP2A13L3MBTL1
SCHEMBL26620491 0.81 PTGDR2 (0.46) PTGDR2TSHRNPC1CYP2A13L3MBTL1
SCHEMBL26620030 0.80 PTGDR2 (0.48) PTGDR2TSHRNPC1CYP2A13L3MBTL1
SCHEMBL24317318 0.80 PTGDR2 (0.44) PTGDR2TSHRNPC1CYP2A13L3MBTL1
SCHEMBL26636472 0.79 PTGDR2 (0.46) PTGDR2TSHRNPC1CYP2A13L3MBTL1

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
WO-2022081927-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C4 THERAPEUTICS, INC. (US) 2022-04-21 WO disclosed