SCHEMBL10878043

SCHEMBL10878043

Sc1nnc2c3ccccc3c(-c3ccccc3)nn12

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.67
MAPK1 P28482 1/20 0.67
HSD17B10 Q99714 1/20 0.67
KDM4E B2RXH2 2/20 0.61
HTT P42858 1/20 0.61
MAPT P10636 6/20 0.60
RXFP1 Q9HBX9 4/20 0.60
THRB P10828 1/20 0.60
TP53 P04637 3/20 0.55
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL10877780 0.84 TSHR (0.49) TSHRMAPK1HSD17B10KDM4EHTT
SCHEMBL10876854 0.84 MAPT (0.74) TSHRMAPK1HSD17B10KDM4EHTT
SCHEMBL10666086 0.80 TSHR (0.67) TSHRMAPK1HSD17B10KDM4EHTT
SCHEMBL10666106 0.76 TSHR (0.66) TSHRMAPK1HSD17B10KDM4EHTT
SCHEMBL10666220 0.75 TSHR (0.60) TSHRMAPK1HSD17B10KDM4EHTT
SCHEMBL10667875 0.74 TSHR (0.62) TSHRMAPK1HSD17B10KDM4EHTT
SCHEMBL2885346 0.74 MAPT (0.77) TSHRMAPK1HSD17B10KDM4EHTT
SCHEMBL7608266 0.73 KDM4E (0.68) TSHRMAPK1HSD17B10KDM4EHTT
SCHEMBL2886423 0.71 MAPT (1.00) TSHRMAPK1HSD17B10MAPTRXFP1
SCHEMBL10667650 0.70 TSHR (0.53) TSHRMAPK1HSD17B10KDM4EHTT

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-0085840-B1 NEW 6-SUBSTITUTED-S-TRIAZOLO(3,4-A)PHTHALAZINE DERIVATIVES GRUPPO LEPETIT S.P.A. (IT) 1986-10-01 EP disclosed