SCHEMBL11034746

SCHEMBL11034746

O=C(O)c1c([N+](=O)[O-])ccc(Oc2ccc(C(F)(F)F)cc2Cl)c1-n1ncccc1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ TTR P02766 1/20 0.53
▸ PPOX P50336 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ MAPT P10636 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ CCR6 P51684 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ GPR55 Q9Y2T6 1/20 0.41
▸ AKR1B1 P15121 1/20 0.39
▸ AKR1C4 P17516 1/20 0.39
▸ AKR1C3 P42330 1/20 0.39
▸ AKR1C2 P52895 1/20 0.39
▸ AKR1C1 Q04828 1/20 0.39
▸ MRGPRX4 Q96LA9 5/20 0.38
▸ MASP2 O00187 1/20 0.37
▸ F2 P00734 1/20 0.37
▸ FFAR1 O14842 2/20 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
SCHEMBL11108041 0.75 TDP1 (0.61) TDP1MEN1TTRPPOXKMT2A
SCHEMBL11034743 0.74 TDP1 (0.53) TDP1MEN1TTRPPOXKMT2A
SCHEMBL9576842 0.73 TDP1 (0.59) TDP1MEN1TTRPPOXKMT2A
SCHEMBL8605506 0.73 TTR (0.67) TDP1MEN1TTRPPOXKMT2A
SCHEMBL25027280 0.72 GAA (0.45) TDP1MEN1KMT2AMAPTLMNA
SCHEMBL31053862 0.72 GAA (0.45) TDP1MEN1KMT2AMAPTLMNA
SCHEMBL11059316 0.72 TDP1 (0.57) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10541909 0.71 TDP1 (0.56) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10598144 0.71 TDP1 (0.74) TDP1MEN1TTRPPOXKMT2A
Acifluorfen SCHEMBL3228873 0.70 TDP1 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4517010-A 2-Nitro-5(substituted-phenoxy) benzoyl derivatives as herbicides RHONE-POULENC INC. (US) 1985-05-14 — — US disclosed
Send feedback