SCHEMBL20224323

SCHEMBL20224323

c1ccc(-c2cc(-c3ccc(-c4cccnc4)cc3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc5-4)c4ccccc4-c4c3ccc3c4sc4ccccc43)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 5/20 0.38
DHODH Q02127 1/20 0.37
CYP19A1 P11511 1/20 0.34
GBA1 P04062 1/20 0.33
LIMK1 P53667 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 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
USP1 O94782 4/20 0.31
WDR48 Q8TAF3 4/20 0.31
CYP11B1 P15538 1/20 0.31
TDP2 O95551 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 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
SCHEMBL20224322 0.97 PDK2 (0.37) PDK2DHODHCYP19A1GBA1LIMK1
SCHEMBL20224320 0.97 PDK2 (0.37) PDK2DHODHCYP19A1GBA1LIMK1
SCHEMBL20224328 0.97 PDK2 (0.36) PDK2DHODHCYP19A1GBA1LIMK1
SCHEMBL20224318 0.96 PDK2 (0.38) PDK2DHODHCYP19A1GBA1LIMK1
SCHEMBL20224319 0.94 PDK2 (0.36) PDK2DHODHCYP19A1GBA1LIMK1
SCHEMBL20224330 0.93 PDK2 (0.34) PDK2DHODHCYP19A1GBA1LIMK1
SCHEMBL20224325 0.92 ALOX5 (0.35) ALDH1A1LMNASMN1; SMN2NPSR1MEN1
SCHEMBL20224277 0.91 PDK2 (0.45) PDK2CYP19A1LIMK1NPC1RAB9A
SCHEMBL20224324 0.91 PDK2 (0.34) PDK2DHODHCYP19A1GBA1LIMK1
SCHEMBL16250098 0.91 ALOX5 (0.36) PDK2ALDH1A1LMNASMN1; SMN2NPSR1

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