SCHEMBL20224328

SCHEMBL20224328

c1ccc(-c2cc(-c3cccnc3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc5-4)c4ccccc4-c4c3ccc3c4sc4ccccc43)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 6/20 0.36
DHODH Q02127 1/20 0.36
CYP19A1 P11511 1/20 0.34
GBA1 P04062 1/20 0.33
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 2/20 0.32
GPR84 Q9NQS5 1/20 0.32
HTT P42858 1/20 0.32
CYP2C9 P11712 2/20 0.32
HPGD P15428 1/20 0.32
CYP11B1 P15538 1/20 0.31
LIMK1 P53667 1/20 0.31
GLA P06280 1/20 0.31

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
SCHEMBL20224323 0.97 PDK2 (0.38) PDK2DHODHCYP19A1GBA1LMNA
SCHEMBL20224319 0.96 PDK2 (0.36) PDK2DHODHCYP19A1GBA1LMNA
SCHEMBL20224330 0.96 PDK2 (0.34) PDK2DHODHCYP19A1GBA1LMNA
SCHEMBL20224322 0.95 PDK2 (0.37) PDK2DHODHCYP19A1GBA1LMNA
SCHEMBL20224320 0.95 PDK2 (0.37) PDK2DHODHCYP19A1GBA1LMNA
SCHEMBL20224324 0.94 PDK2 (0.34) PDK2DHODHCYP19A1GBA1SMN1; SMN2
SCHEMBL20224318 0.93 PDK2 (0.38) PDK2DHODHCYP19A1GBA1ALDH1A1
SCHEMBL20224325 0.93 ALOX5 (0.35) LMNASMN1; SMN2ALDH1A1NPSR1MEN1
SCHEMBL20224327 0.93 PDK2 (0.34) PDK2DHODHCYP19A1GBA1NPC1
SCHEMBL16250098 0.92 ALOX5 (0.36) PDK2LMNASMN1; SMN2ALDH1A1NPSR1

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-20180159044-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2018-06-07 US disclosed
US-20180159044-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2018-06-07 US disclosed