SCHEMBL9199730

SCHEMBL9199730

COc1cc(Cn2nnnc2S)cc(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PTGS2 P35354 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
P2RX7 Q99572 1/20 0.43
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GALR3 O60755 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41

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
SCHEMBL10474100 0.77 KMT2A (0.53) KDM4EALDH1A1MEN1KMT2AP2RX7
SCHEMBL6848898 0.76 P2RX7 (0.53) KDM4EALDH1A1P2RX7TSHRSMN1; SMN2
SCHEMBL4132569 0.75 ALDH1A1 (0.53) KDM4EALDH1A1TDP1TSHRSMN1; SMN2
SCHEMBL10725197 0.73 ALDH1A1 (0.44) KDM4EALDH1A1TSHRSMN1; SMN2GALR3
SCHEMBL9202824 0.73 P2RX7 (0.52) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL2334163 0.68 PTGS2 (0.64) KDM4EALDH1A1MEN1KMT2APTGS2
SCHEMBL4464142 0.68 HTR2A (0.75) PTGS2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL20393842 0.68 HSP90AA1 (0.51) KDM4EALDH1A1MEN1KMT2APTGS2
SCHEMBL1491095 0.67 KDM4E (0.53) KDM4EALDH1A1MEN1KMT2APTGS2
SCHEMBL20393737 0.67 HSP90AA1 (0.50) KDM4EALDH1A1MEN1KMT2APTGS2

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-0348139-B1 Photograhic materials and process EASTMAN KODAK CO (US) 1995-07-19 EP disclosed