SCHEMBL29720381

SCHEMBL29720381

COc1c(C(=O)Cl)n[nH]c1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 2/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
TUBB4A P04350 7/20 0.39
TUBB P07437 7/20 0.39
TUBA3C P0DPH7 7/20 0.39
TUBA1B P68363 7/20 0.39
TUBA4A P68366 7/20 0.39
TUBB4B P68371 7/20 0.39
TUBB3 Q13509 7/20 0.39
TUBB2A Q13885 7/20 0.39
TUBB8 Q3ZCM7 7/20 0.39
TUBA3E Q6PEY2 7/20 0.39
TUBA1A Q71U36 7/20 0.39
TUBA1C Q9BQE3 7/20 0.39
TUBB6 Q9BUF5 7/20 0.39
TUBB2B Q9BVA1 7/20 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
SCHEMBL10642212 0.88 LMNA (0.44) MEN1KMT2ALMNAPKMMAPK1
SCHEMBL20307754 0.80 KDM4E (0.53) MEN1KMT2ALMNAMAPK1SMN1; SMN2
SCHEMBL11712936 0.74 KDM4E (0.55) KMT2AMAPK1SMN1; SMN2ALDH1A1GAA
SCHEMBL168203 0.74 TUBB4A (0.43) LMNASMN1; SMN2TUBB4ATUBBTUBA3C
SCHEMBL20307767 0.71 MAPT (0.46) LMNAMAPK1SMN1; SMN2GAAKDM4E
SCHEMBL570062 0.69 PIN1 (0.47) MEN1KMT2ALMNAMAPK1SMN1; SMN2
SCHEMBL13539292 0.68 SMN1; SMN2 (0.50) MEN1KMT2ALMNAMAPK1SMN1; SMN2
SCHEMBL10140232 0.68 ADORA3 (0.43) LMNAMAPK1SMN1; SMN2ALDH1A1GAA
SCHEMBL15272525 0.67 LMNA (0.49) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL29574996 0.67 LMNA (0.49) MEN1KMT2ALMNASMN1; SMN2ALDH1A1

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
CN-111518079-B Preparation and application of pyrazole derivative containing N-pyridyl-3-pyrazolophenylmethoxypyrazole unit 南通大学 2022-07-12 CN disclosed