SCHEMBL11711833

SCHEMBL11711833

COc1ccc(Nc2ccc(N)cn2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.62
RAB9A P51151 7/20 0.61
MAPT P10636 4/20 0.61
GAA P10253 3/20 0.61
ALDH1A1 P00352 3/20 0.61
HTT P42858 1/20 0.61
NPC1 O15118 5/20 0.58
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
MAPK1 P28482 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
KDM4E B2RXH2 1/20 0.52
THRB P10828 1/20 0.52
RECQL P46063 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CHRNB4 P30926 1/20 0.51
CHRNA3 P32297 1/20 0.51
DHFR P00374 2/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL30639142 0.86 RAD52 (0.45) NR4A1RAB9AMAPTALDH1A1HTT
SCHEMBL6120458 0.84 RAD52 (0.48) NR4A1RAB9AMAPTALDH1A1HTT
SCHEMBL29527700 0.84 RAD52 (0.48) NR4A1RAB9AMAPTALDH1A1HTT
SCHEMBL16488065 0.81 RAB9A (0.62) RAB9AMAPTGAAALDH1A1HTT
SCHEMBL17682914 0.80 RAB9A (0.61) RAB9AMAPTGAAALDH1A1HTT
SCHEMBL28416831 0.80 RAB9A (0.61) RAB9AMAPTGAAALDH1A1HTT
SCHEMBL29408378 0.80 RAB9A (0.61) RAB9AMAPTGAAALDH1A1HTT
SCHEMBL2495024 0.79 NR4A1 (0.61) NR4A1RAB9AMAPTGAAALDH1A1
SCHEMBL1290455 0.78 KDM1A (0.58) NR4A1RAB9AMAPTGAAALDH1A1
SCHEMBL1290616 0.78 KDM1A (0.58) NR4A1RAB9AMAPTGAAALDH1A1

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
US-4001254-A ISOTHIOCYANOPYRIDINE DERIVATIVES CIBA-GEIGY CORPORATION (US) 1977-01-04 US disclosed