SCHEMBL20120040

SCHEMBL20120040

Cc1ccc(C2CC2)cc1N(C)O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.36
QDPR P09417 4/20 0.35
HTR1D P28221 2/20 0.34
HTR2C P28335 2/20 0.33
POLQ O75417 1/20 0.32
MGLL Q99685 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
NLRP3 Q96P20 1/20 0.31
CYP2D6 P10635 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
ACMSD Q8TDX5 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
SCHEMBL18610499 0.85 LMNA (0.36) ESR2QDPRHTR2CPOLQCYP2D6
SCHEMBL24497510 0.76 TYK2 (0.43) GAATSHRNLRP3
SCHEMBL20120015 0.74 POLQ (0.38) ESR2QDPRHTR1DPOLQSLC6A2
SCHEMBL24497541 0.74 PIK3C3 (0.37) QDPRHTR2CMGLLGAATSHR
SCHEMBL24498147 0.74 GAA (0.35) GAATSHRNLRP3SLC6A4
SCHEMBL2884802 0.73 HTR2C (0.46) ESR2QDPRHTR2CCYP2D6SLC6A2
SCHEMBL21396005 0.72 CYP3A4 (0.45) GAATSHR
SCHEMBL18262830 0.72 QDPR (0.52) ESR2QDPRTSHRNLRP3CYP2D6
SCHEMBL18585343 0.72 KDM1A (0.39) POLQ
SCHEMBL20230844 0.70 GAA (0.40) GAATSHRNLRP3

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
WO-2018081456-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2018-05-03 WO disclosed