SCHEMBL29779643

SCHEMBL29779643

CC(C)c1cc(C2CCCCC2)c(N)cc1N

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 2/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.32
PTGDR Q13258 1/20 0.32
NUDT1 P36639 1/20 0.31
BACE1 P56817 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
PSMB5 P28074 1/20 0.30
HTR2A P28223 1/20 0.30
CREBBP Q92793 1/20 0.30

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
SCHEMBL169129 1.00 TDO2 (0.36) TDO2PTGDR2PTGDRNUDT1BACE1
SCHEMBL342627 0.98 TDO2 (0.34) TDO2PTGDR2PTGDRHTR2A
SCHEMBL168792 0.78 TDO2 (0.43) TDO2NUDT1BACE1KDM4EMEN1
SCHEMBL20712616 0.74 BACE1 (0.44) BACE1
SCHEMBL9819248 0.73 CYP3A4 (0.41) TDO2KDM4EMEN1MAPTKMT2A
SCHEMBL28854150 0.72 HTR2C (0.39)
SCHEMBL9636915 0.71 KDM4E (0.44) TDO2PTGDR2PTGDRKDM4EMEN1
SCHEMBL117750 0.71 PTK2 (0.41)
SCHEMBL27557639 0.70 BACE1 (0.37) TDO2BACE1MAPTKMT2A
SCHEMBL30301253 0.69 HTR2A (0.37) TDO2PTGDR2NUDT1BACE1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4380990-A1 DUAL-CURE RESIN COMPOSITION COMPRISING URETDIONE-CONTAINING COMPOUND AND ITS USE IN 3D PRINTING BASF SE (DE) 2024-06-12 EP disclosed
WO-2023012000-A1 DUAL-CURE RESIN COMPOSITION COMPRISING URETDIONE-CONTAINING COMPOUND AND ITS USE IN 3D PRINTING BASF SE (DE) 2023-02-09 WO disclosed
EP-4038126-A1 SPRAY POLYURETHANE ELASTOMERS AND METHODS FOR PRODUCING THE SAME BASF SE (DE) 2022-08-10 EP disclosed