SCHEMBL14196858

SCHEMBL14196858

C/C(=N\N(c1ccccc1)c1ccccc1)c1ccc2c(c1)N(CC1CO1)c1ccccc1S2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 2/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC11 Q96DB2 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC9 Q9UKV0 1/20 0.43
▸ HDAC5 Q9UQL6 1/20 0.43
▸ ADRA1A P35348 5/20 0.42
▸ DRD3 P35462 5/20 0.42
▸ KCNH2 Q12809 5/20 0.42
▸ HTR1A P08908 4/20 0.42
▸ DRD2 P14416 4/20 0.42
▸ CYP1A2 P05177 4/20 0.42
▸ CYP2D6 P10635 4/20 0.42
▸ SLC6A2 P23975 4/20 0.42
▸ SLC6A4 P31645 4/20 0.42

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
SCHEMBL4845703 0.82 HTR1A (0.58) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL4313601 0.76 CYP2D6 (0.53) ADRA1ADRD3KCNH2HTR1ADRD2
SCHEMBL26003736 0.70 FPR2 (0.48) HDAC6ADRA1ADRD3KCNH2HTR1A
SCHEMBL14809789 0.70 FPR2 (0.57) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL26003415 0.69 FPR2 (0.47) HDAC6ADRA1ADRD3KCNH2HTR1A
SCHEMBL26004067 0.69 FPR2 (0.47) HDAC6ADRA1ADRD3KCNH2HTR1A
SCHEMBL14196860 0.66 ALDH1A1 (0.39) LMNAMEN1KMT2AMAPK1
SCHEMBL7343216 0.66 CYP1A2 (0.65) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL14264321 0.65 SNCA (0.45) HDAC6HDAC3HDAC4HDAC2HDAC8
SCHEMBL26003369 0.64 FPR2 (0.45) HDAC6HDAC3HDAC4HDAC1HDAC7

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-7364825-B2 Charge transport materials having a nitrogen-containing-heterocycle hydrazone group SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-04-29 — — US disclosed
US-7364825-B2 Charge transport materials having a nitrogen-containing-heterocycle hydrazone group SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-04-29 — — US disclosed
Send feedback