SCHEMBL19301692

SCHEMBL19301692

Clc1nc(-c2ccccc2)c2ccc3ccncc3c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ KDM4E B2RXH2 4/20 0.45
▸ LMNA P02545 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ GLA P06280 1/20 0.45
▸ MAPK10 P53779 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ CSNK2A2 P19784 6/20 0.41
▸ CSNK2B P67870 6/20 0.41
▸ CLK1 P49759 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ KMT2A Q03164 4/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ DHODH Q02127 1/20 0.36
▸ AKT1 P31749 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CASP1 P29466 1/20 0.34

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
SCHEMBL17367230 0.83 ALDH1A1 (0.52) ALDH1A1KDM4ELMNAHPGDSMN1; SMN2
SCHEMBL29464956 0.83 ALDH1A1 (0.52) ALDH1A1KDM4ELMNAHPGDSMN1; SMN2
SCHEMBL18058368 0.82 MAPT (0.43) ALDH1A1KDM4ELMNAHPGDSMN1; SMN2
SCHEMBL18553594 0.81 KDM4E (0.50) ALDH1A1KDM4ELMNAHPGDSMN1; SMN2
SCHEMBL18132501 0.80 KDM4E (0.50) ALDH1A1KDM4ELMNAHPGDSMN1; SMN2
SCHEMBL12014931 0.75 KDM4E (0.55) TNFALDH1A1KDM4ELMNAHPGD
SCHEMBL18553598 0.75 MAPT (0.45) ALDH1A1KDM4ELMNAHPGDSMN1; SMN2
SCHEMBL18026383 0.74 MAPK10 (0.40) TNFALDH1A1KDM4ELMNAHPGD
SCHEMBL18132495 0.73 MAPT (0.44) ALDH1A1KDM4ELMNAHPGDSMN1; SMN2
SCHEMBL13321776 0.73 KDM4E (0.52) ALDH1A1KDM4ELMNAHPGDSMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017146406-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2017-08-31 — — WO disclosed
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