SCHEMBL22739037

SCHEMBL22739037

CC(C)N1/C(=C/C=O)N(C)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ LMNA P02545 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ PABPC1 P11940 1/20 0.31
▸ TTR P02766 1/20 0.31
▸ CES1 P23141 1/20 0.31
▸ EPHX2 P34913 2/20 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
SCHEMBL10623284 0.83 LMNA (0.50) SMN1; SMN2LMNAHTTMEN1KMT2A
SCHEMBL25933907 0.83 SMN1; SMN2 (0.36) SMN1; SMN2CYP2D6CYP2C9
SCHEMBL13425441 0.75 MAOA (0.44) SMN1; SMN2LMNACYP2D6CYP2C9MEN1
SCHEMBL22739039 0.71 MAOA (0.44) SMN1; SMN2HTTMEN1KMT2AKDM4E
SCHEMBL22739278 0.70 SMN1; SMN2 (0.38) SMN1; SMN2CYP2D6CYP2C9TTRCES1
SCHEMBL30396025 0.70 SMN1; SMN2 (0.46) SMN1; SMN2LMNAHTTCYP2D6CYP2C9
SCHEMBL5000976 0.70 SMN1; SMN2 (0.46) SMN1; SMN2LMNAHTTCYP2D6CYP2C9
SCHEMBL31010621 0.67 SMN1; SMN2 (0.36) SMN1; SMN2LMNAHTTCYP2D6CYP2C9
SCHEMBL22739041 0.67 P2RX4 (0.41) SMN1; SMN2LMNAHTTCYP2D6CYP2C9
SCHEMBL22739038 0.67 SLC22A3 (0.48) SMN1; SMN2LMNAHTTMEN1KMT2A

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
US-12018315-B2 Peptide nucleic acid functionalized hydrogel microneedles for sampling and detection of interstitial fluid nucleic acids MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2024-06-25 — — US disclosed
US-20230242969-A1 PEPTIDE NUCLEIC ACID FUNCTIONALIZED HYDROGEL MICRONEEDLES FOR SAMPLING AND DETECTION OF INTERSTITIAL FLUID NUCLEIC ACIDS HOWARD HUGHES MEDICAL INSTITUTE 2023-08-03 — — US disclosed
US-20200377929-A1 PEPTIDE NUCLEIC ACID FUNCTIONALIZED HYDROGEL MICRONEEDLES FOR SAMPLING AND DETECTION OF INTERSTITIAL FLUID NUCLEIC ACIDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2020-12-03 — — US disclosed
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