SCHEMBL24686768

SCHEMBL24686768

NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1CO

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ P2RX4 Q99571 19/20 0.69
▸ ALDH1A1 P00352 1/20 0.59
▸ LMNA P02545 1/20 0.59
▸ POLB P06746 1/20 0.59
▸ THRB P10828 1/20 0.59
▸ KCNJ6 P48051 1/20 0.59
▸ KCNJ5 P48544 1/20 0.59
▸ KCNJ3 P48549 1/20 0.59

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
SCHEMBL18301640 0.88 P2RX4 (0.72) P2RX4ALDH1A1LMNAPOLBTHRB
SCHEMBL29718827 0.87 P2RX4 (0.71) P2RX4ALDH1A1LMNAPOLBTHRB
SCHEMBL19552065 0.87 P2RX4 (0.71) P2RX4ALDH1A1LMNAPOLBTHRB
SCHEMBL19576469 0.87 ALDH1A1 (0.77) P2RX4ALDH1A1LMNAPOLBTHRB
SCHEMBL19551432 0.86 P2RX4 (0.69) P2RX4ALDH1A1LMNAPOLBTHRB
SCHEMBL29716967 0.86 P2RX4 (0.69) P2RX4ALDH1A1LMNAPOLBTHRB
SCHEMBL24687295 0.85 P2RX4 (0.60) P2RX4
SCHEMBL22894338 0.85 P2RX4 (0.68) P2RX4ALDH1A1LMNAPOLBTHRB
SCHEMBL29717026 0.84 P2RX4 (0.64) P2RX4ALDH1A1LMNAPOLBTHRB
SCHEMBL19551430 0.84 P2RX4 (0.64) P2RX4ALDH1A1LMNAPOLBTHRB

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
WO-2022161416-A1 AROMATIC COMPOUND, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 武汉朗来科技发展有限公司 2022-08-04 — — WO disclosed
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