SCHEMBL28675585

SCHEMBL28675585

O=C(NCc1ccncc1)c1nccnn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.57
▸ HSD17B10 Q99714 2/20 0.53
▸ GAA P10253 1/20 0.50
▸ LMNA P02545 3/20 0.49
▸ MMP13 P45452 3/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ CYP3A4 P08684 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ MAPK14 Q16539 2/20 0.48
▸ MMP2 P08253 1/20 0.48
▸ STAT3 P40763 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ P2RX7 Q99572 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ ROCK2 O75116 1/20 0.46
▸ RPS6KA5 O75582 1/20 0.46
▸ MAP4K4 O95819 1/20 0.46
▸ PRKCG P05129 1/20 0.46

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
SCHEMBL29537243 1.00 SMN1; SMN2 (0.57) SMN1; SMN2HSD17B10GAALMNAMMP13
SCHEMBL29808051 0.88 KMT2A (0.55) SMN1; SMN2GAALMNAMMP13MAPK1
SCHEMBL23521924 0.88 KMT2A (0.55) SMN1; SMN2GAALMNAMMP13MAPK1
SCHEMBL28931232 0.86 KMT2A (0.47) SMN1; SMN2HSD17B10ALDH1A1L3MBTL1
SCHEMBL23521860 0.86 KMT2A (0.61) SMN1; SMN2MMP13ALDH1A1CYP3A4HTT
SCHEMBL29819690 0.86 KMT2A (0.61) SMN1; SMN2MMP13ALDH1A1CYP3A4HTT
SCHEMBL23521747 0.85 CYP2C19 (0.58) SMN1; SMN2LMNAMAPK1ALDH1A1CYP3A4
SCHEMBL29536120 0.85 L3MBTL1 (0.56) SMN1; SMN2LMNACYP3A4MAPK14L3MBTL1
SCHEMBL29808056 0.85 CYP2C19 (0.58) SMN1; SMN2LMNAMAPK1ALDH1A1CYP3A4
SCHEMBL28931229 0.85 L3MBTL1 (0.56) SMN1; SMN2LMNACYP3A4MAPK14L3MBTL1

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-113874375-A Cyclic amide compounds and methods thereof for the treatment of rabies 株式会社大分大学先端医学研究所 2021-12-31 — — CN disclosed
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