SCHEMBL20806159

SCHEMBL20806159

CCCNC(=O)Nc1nc(=O)cc(C)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ ABL1 P00519 6/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ EPHX1 P07099 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ ELANE P08246 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38

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
SCHEMBL13997005 0.92 SMN1; SMN2 (0.46) RAB9ASMN1; SMN2MAPTEPHX1TSHR
SCHEMBL13997007 0.91 EPHX1 (0.45) SMN1; SMN2MAPTEPHX1
SCHEMBL18473758 0.89 EPHX1 (0.47) EPHX1
SCHEMBL13126267 0.89 EPHX1 (0.47) EPHX1
SCHEMBL12462484 0.89 EPHX1 (0.47) EPHX1
SCHEMBL22002164 0.89 ABL1 (0.47) ABL1
SCHEMBL21216730 0.88 ABL1 (0.51) ABL1
SCHEMBL12462223 0.87 ABL1 (0.38) RAB9AABL1SMN1; SMN2MAPTNPC1
SCHEMBL12374457 0.87 ABL1 (0.40) RAB9AABL1SMN1; SMN2MAPTNPC1
SCHEMBL23255654 0.86 ITGB3 (0.45) RAB9AABL1SMN1; SMN2MAPTEPHX1

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-10744728-B2 Application of self-healing material in 3D printing NANJING UNIVERSITY (CN) 2020-08-18 — — US disclosed
US-20190077100-A1 APPLICATION OF SELF-HEALING MATERIAL IN 3D PRINTING NANJING UNIVERSITY (CN) 2019-03-14 — — US disclosed
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