SCHEMBL9683933

SCHEMBL9683933

C[Sn](C)(C)c1ccc2c(c1)-c1ccc(C(=O)OCc3ccc([N+](=O)[O-])cc3)cc1C2=O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
RAB9A P51151 3/20 0.54
ALDH1A1 P00352 2/20 0.54
NPC1 O15118 2/20 0.54
LMNA P02545 2/20 0.54
HTT P42858 3/20 0.49
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
POLB P06746 1/20 0.44
MAOB P27338 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
SCHEMBL9683945 0.98 MAPT (0.54) MAPTSMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL9684734 0.77 RAB9A (0.51) MAPTSMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL9685931 0.75 PTPRC (0.47) MAPTSMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL28013888 0.73 HTT (0.62) MAPTSMN1; SMN2RAB9AALDH1A1HTT
SCHEMBL9684489 0.72 PTPRC (0.49) MAPTSMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL11116815 0.71 MEN1 (0.72) MAPTRAB9AALDH1A1LMNAHTT
SCHEMBL9385826 0.70 ALDH1A1 (0.66) MAPTSMN1; SMN2RAB9AALDH1A1HTT
SCHEMBL9385816 0.70 ALDH1A1 (0.66) MAPTSMN1; SMN2RAB9AALDH1A1HTT
SCHEMBL9684470 0.70 HTR7 (0.46) MAPTSMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL8141752 0.69 HTT (0.68) MAPTSMN1; SMN2RAB9AALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5144028-A Antibiotics MERCK & CO., INC. (US) 1992-09-01 US disclosed
EP-0469844-A1 2-(9-fluorenonyl)-carbapenem MERCK & CO. INC. (US) 1992-02-05 EP disclosed
US-5025007-A 2-(9-fluorenonyl)-carbapenem antibacterial agents MERCK & CO., INC. (US) 1991-06-18 US disclosed