SCHEMBL23367361

SCHEMBL23367361

Cc1ccccc1-n1ncc(C=O)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.37
ALDH1A1 P00352 7/20 0.37
TSHR P16473 2/20 0.37
MGLL Q99685 1/20 0.37
KMT2A Q03164 2/20 0.35
HTT P42858 2/20 0.35
MAPK14 Q16539 1/20 0.35
LMNA P02545 4/20 0.35
KDM4E B2RXH2 2/20 0.35
TP53 P04637 2/20 0.35
HIF1A Q16665 1/20 0.35
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ELANE P08246 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
MITF O75030 1/20 0.32

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
SCHEMBL9814514 0.75 P2RX7 (0.62) P2RX7ALDH1A1TSHRKMT2ALMNA
SCHEMBL23354899 0.72 ALDH1A1 (0.52) ALDH1A1KMT2AHTTMAPK14LMNA
SCHEMBL23367388 0.71 P2RX7 (0.42) P2RX7ALDH1A1MGLLKMT2AHTT
SCHEMBL24938358 0.70 MAPK14 (0.35) ALDH1A1TSHRMGLLKMT2AHTT
SCHEMBL28056728 0.68 P2RX7 (0.59) P2RX7ALDH1A1TSHRMGLLFLT3
SCHEMBL31568323 0.68 L3MBTL1 (0.35) P2RX7ALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL4550926 0.68 FLT3 (0.44) ALDH1A1TSHRMGLLKMT2ALMNA
SCHEMBL16141027 0.68 KMT2A (0.44) ALDH1A1TSHRMGLLKMT2AHTT
SCHEMBL23354892 0.67 CYP1A2 (0.46) ALDH1A1TSHRKMT2ALMNAKDM4E
SCHEMBL3327427 0.67 ALDH1A1 (0.46) ALDH1A1TSHRMGLLKMT2AHTT

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
EP-3822265-A1 SUBSTITUTED HYDANTOINAMIDES AS ADAMTS7 ANTAGONISTS Bayer AG (DE) 2021-05-19 EP disclosed