SCHEMBL10620277

SCHEMBL10620277

CC(=O)Nc1ccc(Oc2ccccc2)c(N)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.61
ESRRA P11474 2/20 0.52
ALDH1A1 P00352 3/20 0.51
MAPT P10636 2/20 0.51
BRD4 O60885 3/20 0.51
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
PLA2G7 Q13093 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
LMNA P02545 1/20 0.48
RORC P51449 2/20 0.48
HSD17B10 Q99714 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GLA P06280 1/20 0.48
HPGD P15428 1/20 0.48
IKBKB O14920 1/20 0.47
NAPRT Q6XQN6 1/20 0.47

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
Hydrochloric Acid SCHEMBL11326749 0.99 TDP1 (0.59) TDP1ESRRAALDH1A1MAPTBRD4
SCHEMBL3728922 0.88 MAPT (0.51) TDP1ESRRAALDH1A1MAPTBRD4
SCHEMBL28430906 0.88 TDP1 (0.71) TDP1ESRRAALDH1A1MAPTBRD4
SCHEMBL11325646 0.84 MAPT (0.55) ESRRAALDH1A1MAPTBRD4MTNR1A
SCHEMBL6285132 0.82 ESRRA (0.69) ESRRAALDH1A1RORC
SCHEMBL3728925 0.82 ALDH1A1 (0.56) ALDH1A1MAPTMTNR1AMTNR1BCYP1A2
SCHEMBL14384694 0.82 TTR (0.60) ESRRAALDH1A1MAPTBRD4MTNR1A
SCHEMBL10612285 0.82 TDP1 (0.54) TDP1ESRRAALDH1A1MAPTMTNR1A
SCHEMBL15067981 0.82 STK39 (0.58) ESRRAALDH1A1MAPTBRD4MTNR1A
SCHEMBL8590316 0.80 TDP1 (0.66) TDP1ALDH1A1MAPTRORCHSD17B10

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
EP-0165564-B1 PROCESS FOR THE PREPARATION OF 4-ACYLAMINO-2-ALKYLAMINOPHENYL ETHERS HOECHST AKTIENGESELLSCHAFT (DE) 1988-05-25 EP disclosed
EP-0165564-A2 Process for the preparation of 4-acylamino-2-alkylaminophenyl ethers HOECHST AKTIENGESELLSCHAFT (DE) 1985-12-27 EP disclosed
US-4248794-A ACYLATION OF DIAMINOPHENYL ETHER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-02-03 US disclosed