SCHEMBL22617845

SCHEMBL22617845

C=N/C=N\c1c(C)cccc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.38
MEN1 O00255 1/20 0.38
HSP90AA1 P07900 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2A6 P11509 2/20 0.35
CYP1A2 P05177 1/20 0.35
ALDH1A1 P00352 3/20 0.33
GRIN2D O15399 2/20 0.33
GRIN3B O60391 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
GRIN2B Q13224 2/20 0.33
GRIN2C Q14957 2/20 0.33
GRIN3A Q8TCU5 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL22910258 0.83 GABRA1 (0.35) ATMMEN1HSP90AA1KMT2ACYP1A2
SCHEMBL16479735 0.76 CYP2C9 (0.52) MEN1KMT2AALDH1A1GRIN2DGRIN3B
SCHEMBL4350537 0.75 ATM (0.43) ATMMEN1HSP90AA1KMT2ACYP2A6
SCHEMBL4350534 0.75 ATM (0.43) ATMMEN1HSP90AA1KMT2ACYP2A6
SCHEMBL23706906 0.73 ATM (0.41) ATMMEN1HSP90AA1KMT2ACYP2A6
SCHEMBL5591194 0.73 ATM (0.41) ATMMEN1HSP90AA1KMT2ACYP2A6
SCHEMBL1826151 0.73 ATM (0.41) ATMMEN1HSP90AA1KMT2ACYP2A6
SCHEMBL1826153 0.73 ATM (0.41) ATMMEN1HSP90AA1KMT2ACYP2A6
SCHEMBL25847142 0.73 ATM (0.38) ATMMEN1HSP90AA1KMT2ACYP2A6
SCHEMBL363817 0.72 ATM (0.44) ATMMEN1HSP90AA1KMT2ACYP2A6

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
US-11114625-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2021-09-07 US disclosed
US-10826000-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2020-11-03 US disclosed