SCHEMBL23974592

SCHEMBL23974592

CN1C(=O)c2c(ncn2Cc2ccccc2)N(C)C1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ CYP11B2 P19099 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ ADORA2B P29275 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ TNF P01375 1/20 0.42
▸ CYP11B1 P15538 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ POLB P06746 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ PARN O95453 1/20 0.39
▸ CNOT7 Q9UIV1 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ GDA Q9Y2T3 1/20 0.38
▸ PDE1A P54750 1/20 0.38
▸ PDE1B Q01064 1/20 0.38

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
SCHEMBL21499662 0.75 ALDH1A1 (0.46) TSHRALDH1A1CYP11B2SMN1; SMN2CYP11B1
SCHEMBL22085071 0.75 SMN1; SMN2 (0.46) TSHRALDH1A1SMN1; SMN2RXFP1POLB
SCHEMBL24559443 0.73 MAPT (0.54) ALDH1A1KDM4ELMNA
SCHEMBL24559421 0.73 ALDH1A1 (0.35) TSHRALDH1A1CYP11B2SMN1; SMN2CYP11B1
SCHEMBL23416897 0.71 CYP1A2 (0.42) ALDH1A1SMN1; SMN2RXFP1GAAPOLB
SCHEMBL23416909 0.71 PORCN (0.58) PKM
SCHEMBL21162605 0.71 POLB (0.41) POLBKDM4E
SCHEMBL23416912 0.70 TNF (0.50) TNF
SCHEMBL22105567 0.70 TSHR (0.45) TSHRALDH1A1CYP11B2SMN1; SMN2ADORA2B
SCHEMBL233753 0.69 TSHR (0.58) TSHRALDH1A1CYP11B2SMN1; SMN2ADORA2B

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-20210344045-A1 Nonaqueous Electrolyte Solution and Nonaqueous Secondary Battery ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-11-04 — — US disclosed
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