SCHEMBL21929552

SCHEMBL21929552

CC(C)n1ccc2ccoc2c1=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.34
▸ MAOB P27338 1/20 0.34
▸ P2RY2 P41231 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2A6 P11509 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ PDE4A P27815 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ CYP2A13 Q16696 1/20 0.31

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
SCHEMBL13061920 0.76 BRD9 (0.43) MAOAMAOBP2RY2CYP1A2CYP3A4
SCHEMBL23666028 0.71 MAOA (0.34) MAOAMAOBP2RY2CYP1A2CYP3A4
SCHEMBL1757151 0.67 HTR2A (0.46) CYP1A2TSHRPDE4ACYP2C19
SCHEMBL3519487 0.66 P2RY2 (0.34) MAOAMAOBP2RY2
SCHEMBL21931150 0.64 PDE7A (0.38) CYP2A6
SCHEMBL21615134 0.64 BRD4 (0.61) —
SCHEMBL21391494 0.63 KMT2A (0.38) P2RY2CYP1A2CYP3A4TSHRMAPK1
SCHEMBL10101243 0.63 NTRK1 (0.31) —
SCHEMBL21391523 0.63 MEN1 (0.43) MAOAMAOBP2RY2CYP1A2CYP2A6
SCHEMBL17464957 0.63 TDP2 (0.35) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210222147-A1 INCORPORATION OF UNNATURAL NUCLEOTIDES AND METHODS THEREOF SANOFI (FR) 2021-07-22 — — US disclosed
US-20200131555-A1 INCORPORATION OF UNNATURAL NUCLEOTIDES AND METHODS THEREOF THE SCRIPPS RESEARCH INSTITUTE 2020-04-30 — — US disclosed
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