SCHEMBL29276751

SCHEMBL29276751

Cc1csc(NC(=O)C(C)c2ccc(CC(C)C)cc2)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.65
XBP1 P17861 1/20 0.65
FAAH O00519 1/20 0.61
MAPK1 P28482 2/20 0.57
FFAR2 O15552 1/20 0.55
CHRM1 P11229 1/20 0.55
PDE4A P27815 1/20 0.55
MAPT P10636 2/20 0.54
CRHBP P24387 2/20 0.54
CRHR2 Q13324 2/20 0.54
GAA P10253 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TP53 P04637 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
POLB P06746 1/20 0.53
RAB9A P51151 3/20 0.52
NPSR1 Q6W5P4 1/20 0.52
CXCR1 P25024 3/20 0.51
CXCR2 P25025 3/20 0.51
EPHX1 P07099 1/20 0.50

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
SCHEMBL29276742 0.84 LMNA (0.61) LMNAXBP1FAAHMAPK1FFAR2
SCHEMBL29276746 0.82 LMNA (0.58) LMNAXBP1FAAHMAPK1MAPT
SCHEMBL29276744 0.81 KMT2A (0.58) LMNAXBP1FAAHMAPK1RAB9A
SCHEMBL29276748 0.80 ALDH1A1 (0.57) LMNAMAPK1MAPTSMN1; SMN2TP53
SCHEMBL31006098 0.79 MRE11 (0.61) LMNAXBP1FAAHMAPTCRHBP
SCHEMBL29276757 0.79 MAPT (0.64) LMNAXBP1MAPK1MAPTSMN1; SMN2
SCHEMBL29276771 0.79 MRE11 (0.61) LMNAXBP1FAAHMAPTCRHBP
SCHEMBL31006082 0.78 MEN1 (0.58) LMNAXBP1POLBRAB9ANPC1
SCHEMBL29276756 0.78 MEN1 (0.58) LMNAXBP1POLBRAB9ANPC1
SCHEMBL29276750 0.78 LMNA (0.53) LMNAXBP1FAAHMAPK1CHRM1

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-118344304-A Ibuprofen derivative and preparation method and application thereof 华南农业大学 2024-07-16 CN disclosed