SCHEMBL21758828

SCHEMBL21758828

C=C(CCC#N)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.44
MAOB P27338 6/20 0.44
CYP19A1 P11511 1/20 0.37
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 2/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ESR1 P03372 1/20 0.35
ESRRG P62508 1/20 0.35

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
SCHEMBL29118780 0.86 MAOA (0.40) MAOAMAOBSLC6A4SLC6A3LMNA
Indene SCHEMBL29239423 0.81 CYP2D6 (0.45) MAOAMAOBSLC6A4SLC6A3
SCHEMBL21758833 0.80 ALDH1A1 (0.38) KMT2AALDH1A1HTT
SCHEMBL21758849 0.80 ALDH1A1 (0.37) KMT2AALDH1A1LMNAMAPT
SCHEMBL21758846 0.80 CYP19A1 (0.41) MAOAMAOBCYP19A1ALDH1A1LMNA
SCHEMBL21758757 0.80 GSK3B (0.43) CYP19A1KMT2AALDH1A1MAPT
SCHEMBL7990104 0.79 MAOA (0.56) MAOAMAOBSLC6A4SLC6A3KMT2A
SCHEMBL5487422 0.79 MAOA (0.44) MAOAMAOBSLC6A4SLC6A3KMT2A
SCHEMBL155217 0.78 CYP19A1 (0.47) MAOAMAOBCYP19A1POLB
SCHEMBL29239419 0.78 F10 (0.36) CYP19A1SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118010860-B Py-GC/MS analysis method for micro-nano plastic in atmospheric particulate matters 中国科学院广州地球化学研究所 2025-03-21 CN claimed
CN-118010860-A Py-GC/MS analysis method for micro-nano plastic in atmospheric particulate matters 中国科学院广州地球化学研究所 2024-05-10 CN claimed
CN-118010860-B Py-GC/MS analysis method for micro-nano plastic in atmospheric particulate matters 中国科学院广州地球化学研究所 2025-03-21 CN disclosed
CN-118010860-A Py-GC/MS analysis method for micro-nano plastic in atmospheric particulate matters 中国科学院广州地球化学研究所 2024-05-10 CN disclosed
WO-2021221760-A2 EXPANDING THE CHEMICAL SUBSTRATES FOR GENETIC CODE REPROGRAMMING TO INCLUDE LONG CHAIN CARBON AND CYCLIC AMINO ACIDS NORTHWESTERN UNIVERSITY (US) 2021-11-04 WO disclosed
WO-2020040840-A2 EXPANDING THE CHEMICAL SUBSTRATES FOR GENETIC CODE REPROGRAMMING NORTHWESTERN UNIVERSITY (US) 2020-02-27 WO disclosed