SCHEMBL24687090

SCHEMBL24687090

O=C(Cc1ccc(F)cc1Cl)Nc1ccc(COc2ccc(F)cc2)c(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS4 O75173 1/20 0.51
▸ MMP2 P08253 1/20 0.51
▸ MMP13 P45452 1/20 0.51
▸ MMP14 P50281 1/20 0.51
▸ ADAMTS5 Q9UNA0 1/20 0.51
▸ P2RX4 Q99571 1/20 0.48
▸ ROCK2 O75116 1/20 0.45
▸ P2RX7 Q99572 2/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ MAPT P10636 2/20 0.44
▸ RECQL P46063 1/20 0.44
▸ KCNJ5 P48544 1/20 0.43
▸ KCNJ3 P48549 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ MMP1 P03956 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MAOB P27338 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
SCHEMBL24686674 0.92 KCNJ5 (0.54) P2RX4KCNJ5KCNJ3MAOB
SCHEMBL24687283 0.90 ROCK2 (0.45) ADAMTS4MMP2MMP13MMP14ADAMTS5
SCHEMBL24687103 0.85 RECQL (0.53) ADAMTS4MMP2MMP13MMP14ADAMTS5
SCHEMBL29852110 0.85 P2RX4 (0.60) ADAMTS4MMP2MMP13MMP14ADAMTS5
SCHEMBL24686059 0.85 P2RX4 (0.60) ADAMTS4MMP2MMP13MMP14ADAMTS5
SCHEMBL24686724 0.84 ADAMTS4 (0.46) ADAMTS4MMP2MMP13MMP14ADAMTS5
SCHEMBL24687088 0.84 ROCK2 (0.49) P2RX4ROCK2P2RX7KMT2AMEN1
SCHEMBL24686030 0.84 ROCK2 (0.49) P2RX4ROCK2P2RX7KMT2AMEN1
SCHEMBL24686385 0.84 RECQL (0.45) ADAMTS4MMP2MMP13MMP14ADAMTS5
SCHEMBL24686639 0.83 KCNJ5 (0.55) P2RX4MAPTKCNJ5KCNJ3ALDH1A1

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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