SCHEMBL2425083

SCHEMBL2425083

O=c1cc(C23C4C5C6C2[Fe]56432789C3C2C7C8C39)oc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 6/20 0.45
▸ NPC1 O15118 5/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ GABRP O00591 4/20 0.45
▸ GABRD O14764 4/20 0.45
▸ GABRA1 P14867 4/20 0.45
▸ GABRB1 P18505 4/20 0.45
▸ GABRG2 P18507 4/20 0.45
▸ GABRB3 P28472 4/20 0.45
▸ GABRA5 P31644 4/20 0.45
▸ GABRA3 P34903 4/20 0.45
▸ GABRA2 P47869 4/20 0.45
▸ GABRB2 P47870 4/20 0.45
▸ GABRA4 P48169 4/20 0.45
▸ GABRE P78334 4/20 0.45
▸ GABRA6 Q16445 4/20 0.45
▸ GABRG1 Q8N1C3 4/20 0.45
▸ GABRG3 Q99928 4/20 0.45
▸ GABRQ Q9UN88 4/20 0.45

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
SCHEMBL2429282 0.81 ALDH1A1 (0.41) NPC1RAB9ASMN1; SMN2HPGDCA12
SCHEMBL2424881 0.81 MAPT (0.49) NPC1RAB9ASMN1; SMN2HPGDTP53
SCHEMBL2430119 0.81 ALDH1A1 (0.49) TNKSPARP1HPGDTNKS2TP53
SCHEMBL2420726 0.81 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2423285 0.81 MAOB (0.47) TNKSGABRPGABRDGABRA1GABRB1
SCHEMBL2427139 0.81 HPGD (0.49) TNKSSMN1; SMN2PARP1HPGDTNKS2
SCHEMBL2425388 0.81 MAPT (0.48) NPC1RAB9ASMN1; SMN2HPGDTP53
SCHEMBL2424973 0.81 ADCY1 (0.49) TNKSNPC1RAB9ASMN1; SMN2GABRP
SCHEMBL2426911 0.80 AR (0.47) SMN1; SMN2HPGDCYP3A4ARCYP1B1
SCHEMBL2427955 0.79 CYP1B1 (0.51) SMN1; SMN2HPGDTP53ABCB1CYP3A4

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
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