SCHEMBL2427311

SCHEMBL2427311

CCCC(=O)Nc1ccc2oc(C34C5C6C7C3[Fe]6754389%10C4C3C8C9C4%10)cc(=O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.49
▸ KDM4E B2RXH2 8/20 0.49
▸ SMN1; SMN2 Q16637 8/20 0.49
▸ HPGD P15428 6/20 0.44
▸ NPC1 O15118 5/20 0.42
▸ RAB9A P51151 5/20 0.42
▸ HSD17B10 Q99714 4/20 0.41
▸ MAPT P10636 4/20 0.41
▸ PTPRC P08575 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ SAE1 Q9UBE0 1/20 0.38
▸ UBA2 Q9UBT2 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
SCHEMBL2424542 0.86 CSNK2A2 (0.47) ALDH1A1KDM4ESMN1; SMN2HPGDNPC1
SCHEMBL2420589 0.77 CA12 (0.50) ALDH1A1KDM4ESMN1; SMN2HPGDNPC1
SCHEMBL2424881 0.75 MAPT (0.49) ALDH1A1KDM4ESMN1; SMN2HPGDNPC1
SCHEMBL2425388 0.75 MAPT (0.48) ALDH1A1KDM4ESMN1; SMN2HPGDNPC1
SCHEMBL12325502 0.75 ALDH1A1 (0.55) ALDH1A1KDM4ESMN1; SMN2HPGDNPC1
SCHEMBL2426267 0.74 STS (0.58) ALDH1A1KDM4EHPGDHSD17B10TP53
SCHEMBL2422437 0.74 KDM4E (0.49) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL2424973 0.72 ADCY1 (0.49) ALDH1A1KDM4ESMN1; SMN2HPGDNPC1
SCHEMBL2427801 0.72 ALDH1A1 (0.52) ALDH1A1KDM4ESMN1; SMN2HPGDNPC1
SCHEMBL2425083 0.70 TNKS (0.45) ALDH1A1KDM4ESMN1; SMN2HPGDNPC1

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
EP-2368895-A1 Ferrocenyl flavonoids Centre National de la Recherche Scientifique (CNRS) (FR) 2011-09-28 — — EP disclosed
WO-2011107572-A1 FERROCENYL FLAVONOIDS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2011-09-09 — — WO disclosed
Send feedback