SCHEMBL25901939

SCHEMBL25901939

C#CCOc1ccc2ccccc2c1C1(C)c2ccccc2-c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 6/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CA12 O43570 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ MAOA P21397 3/20 0.36
▸ TXNRD1 Q16881 1/20 0.35
▸ TXNRD3 Q86VQ6 1/20 0.35
▸ TXNRD2 Q9NNW7 1/20 0.35
▸ MYB P10242 1/20 0.34
▸ LOXL2 Q9Y4K0 1/20 0.34
▸ MTNR1A P48039 1/20 0.34
▸ CYP1A1 P04798 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL25902330 0.78 MAOB (0.36) MAOBMAOALOXL2CYP3A4CYP2A6
SCHEMBL25901917 0.78 MAOB (0.47) MAOBMAOATXNRD1TXNRD3TXNRD2
SCHEMBL11349203 0.76 MEN1 (0.45) MAOBMEN1KMT2ACA12CA2
SCHEMBL2204213 0.72 HTR1B (0.55) MAOBMEN1KMT2ALOXL2CYP1A2
SCHEMBL30000708 0.72 HTR1B (0.55) MAOBMEN1KMT2ALOXL2CYP1A2
SCHEMBL10518424 0.71 MEN1 (0.46) MAOBMEN1KMT2ACA12CA2
Ammonia Solution, Strong SCHEMBL27736316 0.71 HTR1B (0.53) MAOBMEN1KMT2ALOXL2CYP1A2
SCHEMBL25901933 0.71 ESR1 (0.39) MAOBMEN1KMT2AMAOACYP1A1
SCHEMBL11349198 0.70 MEN1 (0.45) MAOBMEN1KMT2ACA12CA2
SCHEMBL18889149 0.70 MEN1 (0.48) MAOBMEN1KMT2ACA12CA2

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
US-20230236509-A1 A SPIN COATING COMPOSITION COMPRISING A CARBON MATERIAL, A METAL ORGANIC COMPOUND, AND SOLVENT, AND A MANUFACTURING METHOD OF A METAL OXIDE FILM ABOVE A SUBSTRATE MERCK PERFORMANCE MATERIALS GERMANY GMBH (DE) 2023-07-27 — — US disclosed
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