SCHEMBL10779115

SCHEMBL10779115

CC(C)(C)C(=O)Nc1ccccc1C1=CC2=CC3=NC(=CC4=NC(=CC5=NC(=C(c6ccccc6NC(=O)C(C)(C)C)C1=N2)C(c1ccccc1NC(=O)C(C)(C)C)=C5c1ccccc1NC(=O)C(C)(C)C)C=C4)C=C3

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ TOP2A P11388 1/20 0.31
▸ LCK P06239 1/20 0.31
▸ CTSL P07711 1/20 0.31
▸ PTPRC P08575 1/20 0.31
▸ PTPN2 P17706 1/20 0.31
▸ PTPN1 P18031 1/20 0.31
▸ CTSS P25774 1/20 0.31
▸ PTPN13 Q12923 1/20 0.31
▸ TSHR P16473 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL9433978 0.85 HDAC3 (0.30) —
SCHEMBL21807143 0.85 RAB9A (0.36) MAPTTP53TSHRKDM4ELMNA
SCHEMBL5630622 0.84 CETP (0.40) CETPMAPTTP53TOP2ALCK
SCHEMBL7261886 0.79 SLC6A3 (0.33) PTPRCTSHRKDM4ELMNA
SCHEMBL22389544 0.75 — —
SCHEMBL29069277 0.75 — —
SCHEMBL22389560 0.74 — —
SCHEMBL22389524 0.74 — —
SCHEMBL29069303 0.74 — —
SCHEMBL11325697 0.74 TYMS (0.30) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0110396-B1 IRON-TETRAPHENYLPORPHINE COMPLEX HAVING PHOSPHOCHOLINE GROUP AND OXYGEN ADSORBING AND DESORBING AGENT TAIHO PHARMACEUTICAL CO., LTD. (JP) 1987-03-25 — — EP disclosed
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