SCHEMBL20224969

SCHEMBL20224969

O=C(CCCc1cccnc1)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 8/20 0.60
KMT2A Q03164 2/20 0.57
LMNA P02545 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
CHRNA7 P36544 1/20 0.55
ALDH1A1 P00352 1/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CYP2A6 P11509 1/20 0.47
NAPRT Q6XQN6 1/20 0.47
PTAFR P25105 1/20 0.47

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
SCHEMBL304802 0.91 TDP1 (0.60) TBXAS1KMT2ALMNATDP1CHRNA7
SCHEMBL20224971 0.87 MAPK1 (0.50) TBXAS1KMT2ALMNATDP1ALDH1A1
SCHEMBL27622791 0.85 CHRNA7 (0.61) TBXAS1KMT2ATDP1CHRNA7L3MBTL1
SCHEMBL20224953 0.85 POLB (0.52) KMT2ALMNATDP1ALDH1A1MAPK1
SCHEMBL9587238 0.85 TBXAS1 (0.56) TBXAS1KMT2ALMNATDP1ALDH1A1
SCHEMBL14368556 0.85 TDP1 (0.61) KMT2ALMNATDP1ALDH1A1MAPK1
SCHEMBL20224985 0.84 MAPK1 (0.47) TBXAS1KMT2ALMNATDP1ALDH1A1
SCHEMBL28994931 0.84 TBXAS1 (0.61) TBXAS1KMT2ALMNATDP1ALDH1A1
SCHEMBL10622938 0.84 TBXAS1 (0.57) TBXAS1KMT2ATDP1CHRNA7ALDH1A1
SCHEMBL20224972 0.82 KMT2A (0.47) KMT2ALMNATDP1ALDH1A1MAPK1

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
US-20180154332-A1 HIGH PURITY CHROMATOGRAPHIC MATERIALS COMPRISING ION PAIRED-BONDED PHASES FOR SUPERCRITICAL FLUID CHROMATOGRAPHY WATERS TECHNOLOGIES CORPORATION 2018-06-07 US disclosed