SCHEMBL24686736

SCHEMBL24686736

O=C(Cc1ccc(F)cc1Cl)Nc1ccc(COc2ccc(F)cn2)c(S)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.53
▸ ROCK2 O75116 1/20 0.47
▸ P2RX4 Q99571 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ CXCR1 P25024 5/20 0.41
▸ CXCR2 P25025 5/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ P2RX7 Q99572 4/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ ANO1 Q5XXA6 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KCNJ5 P48544 1/20 0.40
▸ KCNJ3 P48549 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
SCHEMBL24687103 0.88 RECQL (0.53) RECQLROCK2P2RX4SMN1; SMN2CXCR1
SCHEMBL24686371 0.88 RECQL (0.56) RECQLROCK2P2RX4SMN1; SMN2MEN1
SCHEMBL24686737 0.85 P2RX4 (0.57) RECQLROCK2P2RX4
SCHEMBL30629452 0.85 P2RX4 (0.57) RECQLROCK2P2RX4
SCHEMBL24686770 0.81 ANO1 (0.48) RECQLROCK2P2RX4SMN1; SMN2CXCR1
SCHEMBL24685930 0.81 RECQL (0.46) RECQLROCK2P2RX4SMN1; SMN2CXCR1
SCHEMBL24687037 0.80 RECQL (0.49) RECQLROCK2P2RX4SMN1; SMN2ALDH1A1
SCHEMBL24686677 0.79 ANO1 (0.46) RECQLROCK2P2RX4SMN1; SMN2ALDH1A1
SCHEMBL24687257 0.78 KCNJ5 (0.55) P2RX4MAPTALDH1A1POLBKCNJ5
SCHEMBL24686676 0.78 P2RX4 (0.56) RECQLP2RX4ANO1

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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