SCHEMBL29794880

SCHEMBL29794880

c1ccc2c(c1)OCC21COCc2nc3ccc(-c4cnc(N5CCNCC5)nc4)nc3n21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
BMPR1A P36894 1/20 0.33
ACVR1B P36896 1/20 0.33
ACVRL1 P37023 1/20 0.33
ACVR1 Q04771 1/20 0.33
PDE10A Q9Y233 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
TNF P01375 1/20 0.32
ALDH1A1 P00352 6/20 0.32
CYP1A2 P05177 6/20 0.32
CASP1 P29466 6/20 0.32
CASP7 P55210 6/20 0.32
HSD17B10 Q99714 5/20 0.32
HPGD P15428 5/20 0.32
HIF1A Q16665 4/20 0.32
CYP2C9 P11712 4/20 0.32
CYP2C19 P33261 3/20 0.32
GLA P06280 2/20 0.32
CYP3A4 P08684 5/20 0.32
USP2 O75604 3/20 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
SCHEMBL18150906 1.00 MAPT (0.35) MAPTBMPR1AACVR1BACVRL1ACVR1
SCHEMBL18151303 0.93 PDE10A (0.34) MAPTBMPR1AACVR1BACVRL1ACVR1
SCHEMBL29795054 0.93 PDE10A (0.34) MAPTBMPR1AACVR1BACVRL1ACVR1
SCHEMBL29795015 0.91 PIK3CA (0.35) MAPTTNFALDH1A1CYP1A2CASP1
SCHEMBL18151455 0.91 PIK3CA (0.35) MAPTTNFALDH1A1CYP1A2CASP1
SCHEMBL18151674 0.90 TNF (0.35) MAPTPDE10ATNFALDH1A1CYP1A2
SCHEMBL29794932 0.90 TNF (0.35) MAPTPDE10ATNFALDH1A1CYP1A2
SCHEMBL18151452 0.90 PDE10A (0.33) MAPTBMPR1AACVR1BACVRL1ACVR1
SCHEMBL29794859 0.90 PDE10A (0.33) MAPTBMPR1AACVR1BACVRL1ACVR1
SCHEMBL18150619 0.88 TNF (0.36) TNF

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4493221-A2 TARGETED BIFUNCTIONAL DEGRADERS Yale University (US) 2025-01-22 EP disclosed
CN-119212727-A Targeted bifunctional degradants 耶鲁大学 2024-12-27 CN disclosed
WO-2024182772-A2 MANNOSE 6-PHOSPHATE RECEPTOR BINDING COMPOUNDS FOR THE DEGRADATION OF EXTRACELLULAR PROTEINS AVILAR THERAPEUTICS, INC. (US) 2024-09-06 WO disclosed
WO-2023178199-A2 TARGETED BIFUNCTIONAL DEGRADERS YALE UNIVERSITY (US) 2023-09-21 WO disclosed
EP-4041262-A1 TARGETED BIFUNCTIONAL DEGRADERS Yale University (US) 2022-08-17 EP disclosed