SCHEMBL29971237

SCHEMBL29971237

COc1ccc2cc(C#N)c3ccccc3c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCOA3 Q9Y6Q9 2/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
GLA P06280 2/20 0.49
IMPDH2 P12268 1/20 0.47
IMPDH1 P20839 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2A6 P11509 1/20 0.47
GAA P10253 3/20 0.45
POLB P06746 1/20 0.45
KDM4E B2RXH2 7/20 0.45
MAPT P10636 4/20 0.45
ALDH1A1 P00352 5/20 0.45
L3MBTL1 Q9Y468 4/20 0.45
HSD17B10 Q99714 4/20 0.45
CLK1 P49759 4/20 0.45
HPGD P15428 3/20 0.45
CASP1 P29466 2/20 0.45
MAPK1 P28482 1/20 0.45
CASP7 P55210 1/20 0.45

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
SCHEMBL16929703 1.00 NCOA3 (0.50) NCOA3MEN1KMT2AGLAIMPDH2
SCHEMBL25156188 0.78 IMPDH2 (0.47) NCOA3IMPDH2IMPDH1CYP1A2CYP2A6
SCHEMBL30343916 0.78 IMPDH2 (0.47) NCOA3IMPDH2IMPDH1CYP1A2CYP2A6
SCHEMBL3009652 0.77 MEN1 (0.46) NCOA3MEN1KMT2AGLACYP1A2
SCHEMBL3024523 0.77 CYP1A2 (0.50) NCOA3MEN1KMT2AGLACYP1A2
SCHEMBL151389 0.77 NCOA3 (0.65) NCOA3MEN1KMT2AIMPDH2IMPDH1
SCHEMBL31588629 0.77 NCOA3 (0.65) NCOA3MEN1KMT2AIMPDH2IMPDH1
SCHEMBL16929711 0.76 NCOA3 (0.56) NCOA3IMPDH2IMPDH1KDM4EALDH1A1
SCHEMBL3014632 0.76 PGR (0.52) MEN1KMT2AGLACYP1A2CYP2A6
SCHEMBL28756446 0.75 PGR (0.48) MEN1KMT2ACYP1A2GAAPOLB

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-2022203654-A1 COMPOSITION AND METHODS FOR PHOTODYNAMIC INHIBITING GROWTH OF A MICROBIAL PLANT PATHOGEN TDA RESEARCH, INC. (US) 2022-09-29 WO disclosed