SCHEMBL30013428

SCHEMBL30013428

CN(c1cccc(F)c1)c1nc(NN)nc2cc([N+](=O)[O-])ccc12

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 6/20 0.49
EGFR P00533 1/20 0.42
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
F7 P08709 1/20 0.39
F3 P13726 1/20 0.39
PIN1 Q13526 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ADRA2A P08913 1/20 0.36
MCHR1 Q99705 1/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL23577340 1.00 ABCG2 (0.49) ABCG2EGFRMEN1KMT2AF7
SCHEMBL23601211 0.89 ABCG2 (0.50) ABCG2EGFRMEN1KMT2AADRA2A
SCHEMBL23601302 0.88 ABCG2 (0.54) ABCG2EGFRADRA2AMCHR1MAPT
SCHEMBL23576684 0.88 ABCG2 (0.49) ABCG2EGFRF7F3ADRA2A
SCHEMBL30013260 0.88 ABCG2 (0.49) ABCG2EGFRF7F3ADRA2A
SCHEMBL30013914 0.87 ABCG2 (0.59) ABCG2TDP1ADRA2AMCHR1MAPT
SCHEMBL23577184 0.87 ABCG2 (0.59) ABCG2TDP1ADRA2AMCHR1MAPT
SCHEMBL30013613 0.84 ABCG2 (0.52) ABCG2EGFRMEN1KMT2AF7
SCHEMBL23576751 0.84 ABCG2 (0.52) ABCG2EGFRMEN1KMT2AF7
SCHEMBL23601350 0.82 ABCG2 (0.50) ABCG2EGFRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118324767-A Diacylglycerol kinase modulating compounds 卡尔那生物科学株式会社 2024-07-12 CN disclosed
CN-115362003-A Diacylglycerol kinase modulating compounds 卡尔那生物科学株式会社 2022-11-18 CN disclosed