SCHEMBL18906597

SCHEMBL18906597

Cc1cccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 8/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ PAX8 Q06710 1/20 0.33

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
SCHEMBL15473730 1.00 PDK2 (0.41) PDK2NPSR1LMNAESR1ESR2
SCHEMBL17070108 1.00 PDK2 (0.41) PDK2NPSR1LMNAESR1ESR2
SCHEMBL29512073 1.00 PDK2 (0.41) PDK2NPSR1LMNAESR1ESR2
SCHEMBL2431947 1.00 PDK2 (0.41) PDK2NPSR1LMNAESR1ESR2
SCHEMBL29351177 1.00 PDK2 (0.41) PDK2NPSR1LMNAESR1ESR2
SCHEMBL12325034 0.97 PDK2 (0.40) PDK2NPSR1LMNAESR1ESR2
SCHEMBL14520992 0.97 PDK2 (0.40) PDK2NPSR1LMNAESR1ESR2
SCHEMBL13021491 0.95 PDK2 (0.38) PDK2NPSR1LMNAALDH1A1KDM4E
SCHEMBL2464375 0.95 PDK2 (0.38) PDK2NPSR1LMNAALDH1A1KDM4E
SCHEMBL14520994 0.94 PDK2 (0.42) PDK2NPSR1LMNAESR1ESR2

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-20170155054-A1 ORGANIC LIGHT-EMITTING DEVICE DUK SAN NEOLUX CO., LTD. (KR) 2017-06-01 — — US disclosed
US-20170155054-A1 ORGANIC LIGHT-EMITTING DEVICE DUK SAN NEOLUX CO., LTD. (KR) 2017-06-01 — — US disclosed
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