SCHEMBL24687283

SCHEMBL24687283

O=C(Cc1ccc(F)cc1Cl)Nc1ccc(COc2ccc(F)nc2)c(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ P2RX4 Q99571 2/20 0.44
▸ ADAMTS4 O75173 1/20 0.44
▸ MMP2 P08253 1/20 0.44
▸ MMP13 P45452 1/20 0.44
▸ MMP14 P50281 1/20 0.44
▸ ADAMTS5 Q9UNA0 1/20 0.44
▸ P2RX7 Q99572 8/20 0.43
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KCNJ5 P48544 1/20 0.39
▸ KCNJ3 P48549 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ ANO1 Q5XXA6 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL24687073 0.90 P2RX4 (0.51) ROCK2P2RX4KCNJ5KCNJ3ALDH1A1
SCHEMBL24687090 0.90 ADAMTS4 (0.51) ROCK2RECQLP2RX4ADAMTS4MMP2
SCHEMBL24687063 0.89 ROCK2 (0.47) ROCK2RECQLP2RX4ADAMTS4MMP2
SCHEMBL30629444 0.87 P2RX4 (0.55) P2RX4ADAMTS4MMP2MMP13MMP14
SCHEMBL24686710 0.87 P2RX4 (0.55) P2RX4ADAMTS4MMP2MMP13MMP14
SCHEMBL24687103 0.84 RECQL (0.53) ROCK2RECQLP2RX4ADAMTS4MMP2
SCHEMBL24687083 0.84 SMN1; SMN2 (0.54) P2RX4MEN1KMT2AMAPTALDH1A1
SCHEMBL24686674 0.82 KCNJ5 (0.54) P2RX4KCNJ5KCNJ3
SCHEMBL24686722 0.82 ANO1 (0.48) ROCK2RECQLP2RX4MEN1KMT2A
SCHEMBL30629447 0.81 P2RX4 (0.55) P2RX4ANO1

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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