SCHEMBL28173737

SCHEMBL28173737

CCC(C(=O)O)c1ccc(N=[N+]=[N-])cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 7/20 0.43
▸ AKR1C2 P52895 7/20 0.43
▸ PTGS2 P35354 3/20 0.43
▸ AKR1C1 Q04828 1/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ SCN1A P35498 1/20 0.42
▸ SCN2A Q99250 1/20 0.42
▸ SCN3A Q9NY46 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ HTR1A P08908 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ DPP9 Q86TI2 1/20 0.39
▸ CYP51A1 Q16850 1/20 0.39
▸ ALB P02768 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA5A P35218 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA5B Q9Y2D0 1/20 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
SCHEMBL1574429 0.80 AKR1C3 (0.58) AKR1C3AKR1C2PTGS2AKR1C1PTGS1
SCHEMBL31357936 0.80 AKR1C3 (0.47) AKR1C3AKR1C2PTGS2AKR1C1PTGS1
SCHEMBL22501317 0.78 PTGS2 (0.50) AKR1C3AKR1C2PTGS2PTGS1TP53
SCHEMBL30987858 0.75 CA1 (0.44) PTGS2TP53SLC6A3DPP9CYP51A1
SCHEMBL28489709 0.74 CYP2C9 (0.49) PTGS2SCN1ASCN2ASCN3ATP53
SCHEMBL31367756 0.74 SMN1; SMN2 (0.54) PTGS2SCN1ASCN2ASCN3A
SCHEMBL819392 0.73 LMNA (0.61) AKR1C3AKR1C2PTGS2AKR1C1PTGS1
SCHEMBL7705115 0.73 ALDH1A1 (0.56) AKR1C3AKR1C2PTGS2AKR1C1PTGS1
SCHEMBL510548 0.73 ALDH1A1 (0.56) AKR1C3AKR1C2PTGS2AKR1C1PTGS1
SCHEMBL1715 0.73 LMNA (0.59) HTR1AADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107137703-B Rabies immunogenic conjugate and vaccine and preparation method thereof 成都安特金生物技术有限公司 2018-09-14 — — CN disclosed
CN-108295252-A A method of preparing rabies combined vaccine 成都安特金生物技术有限公司 2018-07-20 — — CN disclosed
CN-108187038-A A kind of rabies combined vaccine 成都安特金生物技术有限公司 2018-06-22 — — CN disclosed
CN-108175855-A A kind of rabies immune originality conjugate 成都安特金生物技术有限公司 2018-06-19 — — CN disclosed
CN-107137703-A Rabies immunogenic conjugate and vaccine and preparation method thereof 成都安特金生物技术有限公司 2017-09-08 — — CN disclosed
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