SCHEMBL21067293

SCHEMBL21067293

Nc1ccc2c(=O)c3cc(F)ccc3oc2n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 10/20 0.65
▸ KMT2A Q03164 3/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ LMNA P02545 1/20 0.50
▸ KDM4E B2RXH2 4/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ NPC1 O15118 4/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ MAPT P10636 1/20 0.44
▸ GFER P55789 1/20 0.44
▸ IKBKE Q14164 4/20 0.40
▸ PKM P14618 2/20 0.40
▸ GABRP O00591 1/20 0.40
▸ GABRD O14764 1/20 0.40
▸ GABRA1 P14867 1/20 0.40
▸ GABRB1 P18505 1/20 0.40
▸ GABRG2 P18507 1/20 0.40

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
SCHEMBL29941589 1.00 TBK1 (0.65) TBK1KMT2AMEN1LMNAKDM4E
SCHEMBL19196792 0.79 TBK1 (1.00) TBK1KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL7678962 0.77 MEN1 (0.59) KMT2AMEN1LMNAKDM4ESMN1; SMN2
SCHEMBL23752331 0.76 KMT2A (0.63) TBK1KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL19204192 0.72 TBK1 (0.71) TBK1KDM4ENPC1RAB9AIKBKE
SCHEMBL2371734 0.71 TBK1 (0.54) TBK1KMT2AMEN1LMNAKDM4E
SCHEMBL5780089 0.69 MAOA (0.67) TBK1KMT2AMEN1LMNAKDM4E
SCHEMBL20317288 0.69 KMT2A (0.48) KMT2AMEN1LMNAKDM4ESMN1; SMN2
SCHEMBL20317291 0.69 KMT2A (0.48) KMT2AMEN1LMNAKDM4ESMN1; SMN2
SCHEMBL20346665 0.69 MEN1 (0.48) KMT2AMEN1LMNAKDM4ESMN1; SMN2

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
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 — — US disclosed
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