SCHEMBL20062958

SCHEMBL20062958

CC(C)(C)c1ccc2c(c1)N(c1ccc(-c3ccccc3)o1)/C(=C1\N(c3ccc(-c4ccccc4)o3)c3ccc(C(C)(C)C)cc3N1c1ccc(-c3ccccc3)o1)N2c1ccc(-c2ccccc2)o1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.34
NQO2 P16083 2/20 0.33
ERCC5 P28715 1/20 0.33
FEN1 P39748 1/20 0.33
KMT2A Q03164 1/20 0.33
SRPK1 Q96SB4 1/20 0.31
HPGD P15428 1/20 0.31
GFER P55789 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NR1H3 Q13133 1/20 0.31
CYP2E1 P05181 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2A6 P11509 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2B6 P20813 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL20071967 0.81 HPGD (0.34) PRKDCNQO2ERCC5FEN1KMT2A
SCHEMBL20062955 0.80 MAOB (0.38) PRKDCNQO2KMT2AHPGDCYP2E1
SCHEMBL20062957 0.79 TDP1 (0.31) HPGD
SCHEMBL18905680 0.75 TSHR (0.38) HPGDNR1H3CYP2D6
SCHEMBL18905689 0.75 TSHR (0.38) HPGDNR1H3CYP2D6
SCHEMBL29273199 0.70 NQO2 (0.55) NQO2ERCC5FEN1HPGDCYP2E1
SCHEMBL20062960 0.70 AR (0.38) PRKDCNQO2HPGDNR1H3CYP2E1
SCHEMBL16940874 0.70 TSHR (0.38) HPGDNR1H3CYP2D6
SCHEMBL20062879 0.69 MEN1 (0.39) KMT2ANR1H3
SCHEMBL23744356 0.69 NQO2 (0.54) NQO2ERCC5FEN1HPGDCYP2E1

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-20180108691-A1 ORGANIC PHOTOELECTRIC CONVERSION ELEMENT, OPTICAL AREA SENSOR, IMAGING DEVICE, AND IMAGING APPARATUS CANON KABUSHIKI KAISHA (JP) 2018-04-19 US disclosed