SCHEMBL7991122

SCHEMBL7991122

COc1nc(-c2ccc(C(F)(F)F)cc2)nc2c1oc1ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
POLB P06746 4/20 0.52
TSHR P16473 3/20 0.52
LMNA P02545 3/20 0.52
KMT2A Q03164 2/20 0.52
HTT P42858 1/20 0.52
USP2 O75604 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TP53 P04637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2E1 P05181 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL7991118 0.81 MAPT (0.46) MAPTPOLBTSHRLMNAKMT2A
SCHEMBL2217397 0.81 SMN1; SMN2 (0.47) MAPTPOLBTSHRLMNAKMT2A
SCHEMBL6858211 0.76 ALDH1A1 (0.38) MAPTPOLBTSHRLMNAKMT2A
SCHEMBL914340 0.72 MEN1 (0.53) KMT2ARXFP1ALDH1A1CYP1A1CYP1A2
SCHEMBL19161275 0.71 MAPT (0.54) MAPTPOLBTSHRLMNAKMT2A
SCHEMBL19162676 0.70 MAPT (0.56) MAPTPOLBTSHRLMNAKMT2A
SCHEMBL2219360 0.70 PIM1 (0.60) MAPTALDH1A1CYP1A1CYP1A2CYP2E1
SCHEMBL18017721 0.69 MAPT (0.58) MAPTPOLBTSHRLMNAKMT2A
SCHEMBL18017712 0.69 MAPT (0.58) MAPTPOLBTSHRLMNAKMT2A
SCHEMBL18017878 0.69 MAPT (0.58) MAPTPOLBTSHRLMNAKMT2A

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
WO-2009139792-A1 HCV PROTEASE INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2009-11-19 WO disclosed