SCHEMBL5842894

SCHEMBL5842894

CCC1(CC)c2cc(C(=O)CBr)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 4/20 0.40
▸ GSK3B P49841 7/20 0.40
▸ PDK2 Q15119 7/20 0.36
▸ PPARG P37231 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ AGTR1 P30556 1/20 0.33

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
SCHEMBL5842902 0.87 PTPN1 (0.36) PTPN1GSK3BPDK2HDAC6ALDH1A1
SCHEMBL5842898 0.85 PTPN1 (0.36) PTPN1GSK3BPDK2PPARGMEN1
SCHEMBL30534206 0.85 PDK2 (0.46) PDK2MEN1KMT2AALDH1A1MAPT
SCHEMBL3793042 0.83 PDK2 (0.40) PDK2HDAC6KDM4EALDH1A1MAPT
SCHEMBL5841679 0.79 PDK2 (0.43) PDK2MEN1KMT2AKDM4EALDH1A1
SCHEMBL1452454 0.78 PDK2 (0.37) PDK2MEN1KMT2AKDM4EALDH1A1
SCHEMBL25671262 0.76 PDK2 (0.38) PDK2MEN1KMT2AKDM4EALDH1A1
SCHEMBL13914895 0.76 PDK2 (0.36) PDK2MEN1KMT2AKDM4EALDH1A1
SCHEMBL1453100 0.76 PDK2 (0.36) PDK2KDM4EALDH1A1MAPT
SCHEMBL17678560 0.75 PDK2 (0.42) PDK2KMT2A

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-7132572-B2 Fullerene compounds Chiang, Long Y. (US) 2006-11-07 — — US disclosed
US-20050191229-A1 Fullerene compounds CHIANG, LONG Y. 2005-09-01 — — US disclosed
WO-2004007426-A1 FULLERENE COMPOUNDS CHIANG LONG Y (US) 2004-01-22 — — WO disclosed
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