SCHEMBL11008451

SCHEMBL11008451

CS(=O)(=NC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.67
▸ MEN1 O00255 1/20 0.67
▸ TTR P02766 1/20 0.67
▸ PPOX P50336 1/20 0.67
▸ KMT2A Q03164 1/20 0.67
▸ MAPT P10636 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ CCR6 P51684 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ GPR55 Q9Y2T6 1/20 0.42
▸ FFAR1 O14842 4/20 0.42
▸ AKR1B1 P15121 1/20 0.42
▸ AKR1C4 P17516 1/20 0.42
▸ AKR1C3 P42330 1/20 0.42
▸ AKR1C2 P52895 1/20 0.42
▸ AKR1C1 Q04828 1/20 0.42
▸ FLT1 P17948 1/20 0.40
▸ FLT4 P35916 1/20 0.40
▸ KDR P35968 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
SCHEMBL11003429 0.95 TDP1 (0.67) TDP1MEN1TTRPPOXKMT2A
SCHEMBL11007247 0.93 TDP1 (0.65) TDP1MEN1TTRPPOXKMT2A
SCHEMBL11003676 0.93 MEN1 (0.65) TDP1MEN1TTRPPOXKMT2A
SCHEMBL11005386 0.93 TDP1 (0.65) TDP1MEN1TTRPPOXKMT2A
SCHEMBL11008339 0.91 TDP1 (0.64) TDP1MEN1TTRPPOXKMT2A
SCHEMBL11004074 0.90 MEN1 (0.73) TDP1MEN1TTRPPOXKMT2A
SCHEMBL11005418 0.88 TDP1 (0.60) TDP1MEN1TTRPPOXKMT2A
SCHEMBL11008103 0.87 MEN1 (0.68) TDP1MEN1TTRPPOXKMT2A
SCHEMBL11002398 0.86 MEN1 (0.69) TDP1MEN1TTRPPOXKMT2A
SCHEMBL8582624 0.86 TDP1 (0.71) TDP1MEN1TTRPPOXKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4556413-A POSTEMERGENCE AND PREEMERGENCE HERBICIDES HOFFMANN-LA ROCHE INC. (US) 1985-12-03 — — US claimed
EP-0109575-A2 Benzoic-acid derivatives, process and means for its production F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-05-30 — — EP claimed
US-4556413-A POSTEMERGENCE AND PREEMERGENCE HERBICIDES HOFFMANN-LA ROCHE INC. (US) 1985-12-03 — — US disclosed
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