SCHEMBL22739039

SCHEMBL22739039

CC(C)N1/C(=C/C=O)Sc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.44
▸ MAPT P10636 8/20 0.43
▸ ALDH1A1 P00352 8/20 0.43
▸ HPGD P15428 2/20 0.43
▸ BCHE P06276 5/20 0.41
▸ NPC1 O15118 6/20 0.41
▸ RAB9A P51151 6/20 0.41
▸ POLB P06746 2/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ NFKB1 P19838 3/20 0.41
▸ NFKB2 Q00653 3/20 0.41
▸ RELA Q04206 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ TP53 P04637 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40

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
SCHEMBL27431233 0.85 MAOA (0.43) MAOAMAPTALDH1A1HPGDBCHE
SCHEMBL10621158 0.83 ALDH1A1 (0.57) MAOAMAPTALDH1A1HPGDNPC1
SCHEMBL10621154 0.83 ALDH1A1 (0.57) MAOAMAPTALDH1A1HPGDNPC1
SCHEMBL627482 0.78 MAOA (0.58) MAOAMAPTALDH1A1HPGDBCHE
SCHEMBL30184394 0.78 MAOA (0.58) MAOAMAPTALDH1A1HPGDBCHE
SCHEMBL8711321 0.72 BCHE (0.41) MAOAMAPTALDH1A1BCHESMN1; SMN2
SCHEMBL15893985 0.72 MAOA (0.45) MAOAMAPTALDH1A1HPGDBCHE
SCHEMBL22739037 0.71 SMN1; SMN2 (0.42) SMN1; SMN2KDM4EMEN1KMT2AHTT
SCHEMBL11983361 0.71 PDF (0.63) MAPTALDH1A1HPGDNPC1RAB9A
SCHEMBL25909343 0.71 MAPT (0.50) MAPTALDH1A1HPGDBCHENPC1

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 4 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-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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