SCHEMBL11035024

SCHEMBL11035024

O=C(c1ccccc1)c1ccc2nc(-c3ccccn3)[nH]c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 5/20 0.70
F2 P00734 1/20 0.69
F10 P00742 1/20 0.69
F7 P08709 1/20 0.69
CBFB Q13951 5/20 0.65
ESR1 P03372 1/20 0.64
CHEK2 O96017 2/20 0.63
METAP2 P50579 5/20 0.61
RAB9A P51151 5/20 0.61
HPGD P15428 4/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
NPC1 O15118 4/20 0.61
PKM P14618 3/20 0.61
ALDH1A1 P00352 2/20 0.61
KDM4E B2RXH2 2/20 0.61
TP53 P04637 2/20 0.61
LMNA P02545 2/20 0.61
POLB P06746 1/20 0.61
GAA P10253 1/20 0.61
MAPT P10636 1/20 0.61

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
SCHEMBL19970726 0.91 F2 (0.70) METAP1F2F10F7CBFB
SCHEMBL11034496 0.90 METAP1 (0.58) METAP1F2F10F7CBFB
SCHEMBL30832867 0.87 CHEK2 (0.82) METAP1F2F10F7CBFB
SCHEMBL19982677 0.84 F2 (0.65) METAP1F2F10F7CBFB
SCHEMBL32660766 0.84 F2 (0.65) METAP1F2F10F7CBFB
SCHEMBL2243148 0.83 CHEK2 (0.80) METAP1ESR1CHEK2RAB9AHPGD
SCHEMBL7371342 0.82 F2 (1.00) METAP1F2F10F7CBFB
SCHEMBL27765862 0.80 CHEK2 (0.78) ESR1CHEK2RAB9AHPGDSMN1; SMN2
SCHEMBL13221301 0.80 ESR1 (0.59) METAP1ESR1CHEK2RAB9AHPGD
SCHEMBL179109 0.80 METAP2 (0.60) METAP1F2F10F7CBFB

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-4492708-A Antiviral benzimidazoles ELI LILLY AND COMPANY (US) 1985-01-08 US disclosed