SCHEMBL20224318

SCHEMBL20224318

c1ccc(-c2nc(-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 0.34
GBA1 P04062 1/20 0.33
LIMK1 P53667 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CYP19A1 P11511 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
GLA P06280 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
USP1 O94782 5/20 0.31
WDR48 Q8TAF3 5/20 0.31
CYP11B1 P15538 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 0.96 PDK2 (0.38) PDK2DHODHGBA1LIMK1NPC1
SCHEMBL20224320 0.95 PDK2 (0.37) PDK2DHODHGBA1LIMK1NPC1
SCHEMBL20224322 0.95 PDK2 (0.37) PDK2DHODHGBA1LIMK1NPC1
SCHEMBL20224328 0.93 PDK2 (0.36) PDK2DHODHGBA1LIMK1NPC1
SCHEMBL20224319 0.93 PDK2 (0.36) PDK2DHODHGBA1LIMK1NPC1
SCHEMBL20224317 0.93 ALOX5 (0.35) PDK2MEN1ALDH1A1KMT2AALOX5
SCHEMBL20224277 0.92 PDK2 (0.45) PDK2LIMK1NPC1RAB9ACYP19A1
SCHEMBL20224314 0.92 ALOX5 (0.36) PDK2MEN1ALDH1A1KMT2AALOX5
SCHEMBL14681623 0.91 ALOX5 (0.36) PDK2MEN1ALDH1A1KMT2AALOX5
SCHEMBL16250111 0.91 ALOX5 (0.36) PDK2MEN1ALDH1A1KMT2AALOX5

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