SCHEMBL23913862

SCHEMBL23913862

Clc1ccc(Cn2cnnn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.53
KDM4E B2RXH2 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NOTUM Q6P988 2/20 0.50
F2 P00734 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
ALDH1A1 P00352 4/20 0.48
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
CYP2A6 P11509 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP2B6 P20813 1/20 0.43
HTR1A P08908 1/20 0.41
HTR2C P28335 1/20 0.41
ACHE P22303 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL10066409 0.84 MEN1 (0.54) MAPK1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL29788840 0.82 ALDH1A1 (0.65) MAPK1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL708243 0.82 KDM4E (0.51) MAPK1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL4833617 0.82 MEN1 (0.53) MAPK1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL10053477 0.82 MEN1 (0.53) MAPK1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL10022389 0.82 NOTUM (0.53) MAPK1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL2532477 0.82 CYP19A1 (0.55) MAPK1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL29788847 0.80 KDM4E (0.50) MAPK1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL9584318 0.80 KDM4E (0.49) MAPK1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL9978689 0.80 CYP19A1 (0.53) MAPK1KDM4EL3MBTL1MEN1KMT2A

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
EP-3892618-A1 4-PYRIDINYL FORMAMIDE COMPOUND OR DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF Qingdao KingAgroot Chemical Compound Co., Ltd. (CN) 2021-10-13 EP disclosed