SCHEMBL28075340

SCHEMBL28075340

O=C(O)c1cccc(Oc2cccc(C(F)(F)F)c2Cl)c1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPAS1 Q99814 2/20 0.51
▸ MRGPRX4 Q96LA9 1/20 0.46
▸ VEGFA P15692 1/20 0.45
▸ CDK2 P24941 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TTR P02766 1/20 0.40
▸ PPOX P50336 1/20 0.40
▸ CLCN2 P51788 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ CCR6 P51684 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ GPR55 Q9Y2T6 1/20 0.39
▸ CTSS P25774 2/20 0.38
▸ CTSK P43235 1/20 0.38
▸ TAS2R14 Q9NYV8 2/20 0.37
▸ CCR1 P32246 1/20 0.37

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
SCHEMBL9512780 0.88 MAPT (0.43) EPAS1MRGPRX4TDP1MAPTLMNA
SCHEMBL27343161 0.80 TDP1 (0.65) EPAS1MRGPRX4VEGFATDP1MEN1
SCHEMBL8304645 0.80 TDP1 (0.64) MRGPRX4TDP1MEN1KMT2ATTR
SCHEMBL9863812 0.80 TDP1 (0.64) MRGPRX4TDP1MEN1KMT2ATTR
SCHEMBL30539397 0.80 TDP1 (0.64) MRGPRX4TDP1MEN1KMT2ATTR
SCHEMBL5195327 0.79 TSHR (0.47) EPAS1MEN1KMT2AMAPTLMNA
SCHEMBL27592434 0.79 TDP1 (0.63) MRGPRX4TDP1MEN1KMT2ATTR
SCHEMBL11092742 0.79 HPGD (0.56) CDK2MEN1KMT2ALMNACCR2
SCHEMBL11168463 0.78 TDP1 (0.51) EPAS1MRGPRX4CDK2TDP1MEN1
SCHEMBL27952969 0.76 MRGPRX4 (0.45) MRGPRX4CLCN2LMNACTSSCTSK

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-105601519-A Preparation method of acifluorfen BEIJING YINGTAIJIAHE BIOTECHNOLOGY CO LTD 2016-05-25 — — CN disclosed
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