SCHEMBL21711524

SCHEMBL21711524

CCC(=O)Nc1ccc(-c2nnc(-c3ccc(NC(=O)CN)cn3)nn2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 7/20 0.50
▸ RAB9A P51151 5/20 0.50
▸ NPC1 O15118 4/20 0.50
▸ MAPT P10636 3/20 0.50
▸ HSD17B10 Q99714 2/20 0.46
▸ PTPN1 P18031 1/20 0.46
▸ MAPK1 P28482 2/20 0.44
▸ TP53 P04637 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HIF1A Q16665 2/20 0.42
▸ ATM Q13315 1/20 0.41
▸ GAA P10253 1/20 0.41

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
SCHEMBL15748734 0.86 SMN1; SMN2 (0.50) SMN1; SMN2RAB9ANPC1MAPTHSD17B10
SCHEMBL18653596 0.85 PTPN1 (0.42) SMN1; SMN2RAB9ANPC1MAPTPTPN1
SCHEMBL18382545 0.84 SMN1; SMN2 (0.57) SMN1; SMN2RAB9ANPC1MAPTHSD17B10
SCHEMBL24224793 0.84 HIF1A (0.41) MAPTPTPN1CA1CA2KDM4E
SCHEMBL16369588 0.84 TP53 (0.47) SMN1; SMN2RAB9ANPC1MAPTPTPN1
SCHEMBL30434097 0.81 PTPN1 (0.39) SMN1; SMN2RAB9ANPC1MAPTPTPN1
SCHEMBL25220396 0.81 PTPN1 (0.39) SMN1; SMN2RAB9ANPC1MAPTPTPN1
SCHEMBL8148873 0.77 P4HTM (0.59) PTPN1CA1CA2
SCHEMBL15747956 0.77 RAB9A (0.53) SMN1; SMN2RAB9ANPC1MAPTPTPN1
SCHEMBL13978263 0.76 RAB9A (0.52) SMN1; SMN2RAB9ANPC1MAPTPTPN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11370899-B2 Rubber composition for tires, and pneumatic tires SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2022-06-28 — — US disclosed
US-20200048437-A1 RUBBER COMPOSITION FOR TIRES, AND PNEUMATIC TIRES SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2020-02-13 — — US disclosed
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