SCHEMBL13619386

SCHEMBL13619386

Cc1cc(I)cc(NN)c1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
RAPGEF4 Q8WZA2 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL486140 0.82 MAPT (0.50) MAPTGAARAPGEF4ALDH1A1MEN1
SCHEMBL15227798 0.82 IDO1 (0.36)
Hydrochloric Acid SCHEMBL1761294 0.79 MAPT (0.48) MAPTGAARAPGEF4ALDH1A1MEN1
SCHEMBL21812073 0.73 THRB (0.38) MAPTRAPGEF4TSHR
SCHEMBL21283087 0.73 TDP1 (0.38) RAPGEF4ALDH1A1TSHR
SCHEMBL812374 0.73
SCHEMBL79108 0.73
SCHEMBL8033916 0.71 MAPT (0.38) MAPTGAARAPGEF4ALDH1A1MEN1
SCHEMBL18593306 0.71 RAPGEF4 (0.47) MAPTGAARAPGEF4ALDH1A1MEN1
SCHEMBL9452351 0.70 MEN1 (0.59) MAPTGAAALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9572881-B2 Halogenated compounds for photodynamic therapy NANOQUANTUM SCIENCES, INC. (US) 2017-02-21 US disclosed
WO-2009140342-A1 GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE SCHERING CORPORATION (US) 2009-11-19 WO disclosed