SCHEMBL23482086

SCHEMBL23482086

CC(C)OC(=O)NCc1nc2ccc(CN)cc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A P04350 6/20 0.51
▸ TUBB P07437 6/20 0.51
▸ TUBA3C P0DPH7 6/20 0.51
▸ TUBA1B P68363 6/20 0.51
▸ TUBA4A P68366 6/20 0.51
▸ TUBB4B P68371 6/20 0.51
▸ TUBB3 Q13509 6/20 0.51
▸ TUBB2A Q13885 6/20 0.51
▸ TUBB8 Q3ZCM7 6/20 0.51
▸ TUBA3E Q6PEY2 6/20 0.51
▸ TUBA1A Q71U36 6/20 0.51
▸ TUBA1C Q9BQE3 6/20 0.51
▸ TUBB6 Q9BUF5 6/20 0.51
▸ TUBB2B Q9BVA1 6/20 0.51
▸ TUBB1 Q9H4B7 6/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ CACNA1G O43497 1/20 0.43
▸ TGFBR1 P36897 1/20 0.42
▸ RAD52 P43351 1/20 0.42
▸ UBE2N P61088 1/20 0.42

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
SCHEMBL23459076 0.84 CACNA1H (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29919434 0.84 CACNA1H (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15584882 0.70 CACNA1H (0.53) SMN1; SMN2CACNA1GRAD52KMT2ACACNA1H
SCHEMBL24670085 0.69 RAD52 (0.63) SMN1; SMN2RAD52UBE2NKMT2AALDH1A1
SCHEMBL19494569 0.68 SMN1; SMN2 (0.62) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8192405 0.68 ALDH1A1 (0.59) RAD52UBE2NKMT2ALMNACYP1A2
SCHEMBL23731882 0.68 CACNA1H (0.53) SMN1; SMN2CACNA1HTSHRMAPK10ALDH1A1
SCHEMBL15584671 0.68 CACNA1H (0.53) SMN1; SMN2CACNA1GKMT2ACACNA1HTSHR
SCHEMBL15243340 0.68 CACNA1H (0.53) SMN1; SMN2CACNA1GCACNA1H
SCHEMBL30103105 0.68 CACNA1H (0.53) SMN1; SMN2CACNA1HTSHRMAPK10ALDH1A1

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-2021111124-A1 POLYHETEROCYCLIC COMPOUNDS AS METTL3 INHIBITORS STORM THERAPEUTICS LIMITED (GB) 2021-06-10 — — WO disclosed
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