SCHEMBL17067701

SCHEMBL17067701

Bc1cc([N+](=O)[O-])cc2ccn(C)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
MAPT P10636 2/20 0.36
CYP19A1 P11511 2/20 0.35
FTO Q9C0B1 2/20 0.35
PABPC1 P11940 1/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 4/20 0.33
CHEK1 O14757 1/20 0.33
DAPK3 O43293 1/20 0.33
GRK5 P34947 1/20 0.33
LIMK1 P53667 1/20 0.33
SLC6A2 P23975 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MITF O75030 1/20 0.33
POLB P06746 1/20 0.33
CASP6 P55212 1/20 0.33

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
SCHEMBL15712276 0.82 TSHR (0.46) TSHRTDP1MAPTCYP19A1FTO
SCHEMBL15712189 0.81 ALDH1A1 (0.41) TSHRTDP1MAPTCYP19A1FTO
SCHEMBL17067764 0.80 CYP1A2 (0.36) TSHRTDP1MAPTCYP19A1FTO
SCHEMBL18746328 0.78 SMN1; SMN2 (0.50) TSHRTDP1MAPTCYP19A1FTO
SCHEMBL17067772 0.78 TSHR (0.34) TSHRTDP1MAPTCYP19A1FTO
SCHEMBL21618390 0.77 ALDH1A1 (0.40) TSHRMAPTMEN1KMT2ARAB9A
SCHEMBL15712209 0.77 FTO (0.34) TSHRTDP1MAPTCYP19A1FTO
SCHEMBL15712662 0.76 CYP19A1 (0.47) TSHRTDP1MAPTCYP19A1FTO
SCHEMBL20850837 0.76 CYP19A1 (0.34) TSHRTDP1MAPTCYP19A1FTO
SCHEMBL15712760 0.76 MEN1 (0.37) TSHRTDP1MAPTCYP19A1FTO

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
EP-2915804-A1 NOVEL AMINE DERIVATIVE OR SALT THEREOF Toyama Chemical Co., Ltd. (JP) 2015-09-09 EP disclosed