SCHEMBL27609042

SCHEMBL27609042

COc1cccc2c1NC(C=O)O2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ALDH1A1 P00352 7/20 0.36
▸ HSD17B10 Q99714 4/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ HPGD P15428 3/20 0.36
▸ HTR1A P08908 2/20 0.36
▸ HTR1D P28221 2/20 0.36
▸ HTR2C P28335 2/20 0.36
▸ HTR7 P34969 2/20 0.36
▸ HTR5A P47898 2/20 0.36
▸ TLR2 O60603 1/20 0.36
▸ ERN1 O75460 1/20 0.36
▸ TLR1 Q15399 1/20 0.36
▸ TLR6 Q9Y2C9 1/20 0.36
▸ MASP2 O00187 1/20 0.35
▸ GAPDH P04406 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ HSPA1A P0DMV8 1/20 0.35
▸ MAPT P10636 1/20 0.35

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
SCHEMBL27590548 0.79 ALDH1A1 (0.33) ALDH1A1CA12CA1CA2CA7
SCHEMBL27608946 0.77 ERN1 (0.37) KDM4ELMNAALDH1A1HSD17B10HPGD
SCHEMBL27683810 0.76 ERN1 (0.32) KDM4EHSD17B10TDP1ERN1GAPDH
SCHEMBL18885246 0.67 PARP1 (0.42) KDM4ELMNAALDH1A1HSD17B10HPGD
SCHEMBL21325331 0.67 KDM4E (0.35) KDM4ELMNAALDH1A1HSD17B10TDP1
SCHEMBL7691685 0.67 CYP19A1 (0.40) KDM4EALDH1A1HTR1AHTR1DHTR2C
SCHEMBL20206922 0.67 HTR5A (0.37) KDM4ELMNAALDH1A1HSD17B10TDP1
SCHEMBL20207089 0.67 HTR5A (0.37) KDM4ELMNAALDH1A1HSD17B10TDP1
SCHEMBL7691684 0.66 CYP19A1 (0.40) KDM4ELMNAALDH1A1HSD17B10TDP1
SCHEMBL27590514 0.66 ALDH1A1 (0.37) KDM4EALDH1A1ERN1HSPA1AMAPT

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
CN-1561212-A Benzimidazolone Derivatives as Muscarinic Agents ACADIA PHARM INC (US) 2005-01-05 — — CN disclosed
Send feedback