SCHEMBL29024293

SCHEMBL29024293

CC(C)(C)c1cnc(NC(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 1/20 0.39
▸ GOPC Q9HD26 1/20 0.39
▸ ACHE P22303 8/20 0.38
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ S1PR2 O95136 1/20 0.35
▸ S1PR4 O95977 1/20 0.35
▸ S1PR3 Q99500 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.34
▸ AR P10275 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CACNA1F O60840 1/20 0.33
▸ CHRM2 P08172 1/20 0.33

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
SCHEMBL30695900 0.77 RCE1 (0.39) CFTRGOPCACHEHDAC3HDAC1
SCHEMBL29177300 0.77 RCE1 (0.39) CFTRGOPCACHEHDAC3HDAC1
SCHEMBL29024288 0.70 ACHE (0.41) CFTRGOPCACHEHDAC3HDAC1
SCHEMBL12690256 0.69 HCAR3 (0.34) —
SCHEMBL824021 0.67 TSHR (0.32) HDAC6
SCHEMBL13543776 0.65 ACHE (0.40) CFTRGOPCACHEMEN1KMT2A
SCHEMBL10220157 0.65 MEN1 (0.42) HDAC6MEN1KMT2AMAPK1MAPT
SCHEMBL12690245 0.65 HCAR3 (0.40) LMNASMN1; SMN2ADRA2B
SCHEMBL12690242 0.65 HCAR3 (0.44) LMNASMN1; SMN2
SCHEMBL28405143 0.63 RCE1 (0.61) CFTRGOPCHDAC1MEN1KMT2A

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-115956070-A Sulfonamide compounds 阿纳克西斯制药股份有限公司 2023-04-11 — — CN disclosed
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