SCHEMBL27345265

SCHEMBL27345265

CN(C(=O)NC(=O)Nc1ccc(CN)cc1)c1ccc(CN)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 3/20 0.50
RAB9A P51151 6/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 3/20 0.47
HRH3 Q9Y5N1 1/20 0.45
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 1/20 0.44
CNR1 P21554 1/20 0.42
NPC1 O15118 5/20 0.41
NOX1 Q9Y5S8 4/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
PLG P00747 2/20 0.41
KLK1 P06870 2/20 0.41
KLK6 Q92876 2/20 0.41
SENP1 Q9P0U3 1/20 0.40
TP53 P04637 2/20 0.40
HPGD P15428 1/20 0.40
ESR2 Q92731 1/20 0.40

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
SCHEMBL27323392 0.81 KLKB1 (0.50) KLKB1RAB9AHRH3MAPTNPC1
SCHEMBL27337079 0.80 KLKB1 (0.48) KLKB1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL27905664 0.77 RAB9A (0.58) KLKB1RAB9ASMN1; SMN2HRH3MAPT
SCHEMBL8531301 0.76 TSHR (0.59) KLKB1TSHR
SCHEMBL27321557 0.75 KLKB1 (0.39) KLKB1ALDH1A1HRH3KMT2AMEN1
Hydrochloric Acid SCHEMBL31647027 0.74 TSHR (0.58) KLKB1PLGKLK1KLK6TSHR
SCHEMBL27543336 0.74 KLKB1 (0.46) KLKB1SMN1; SMN2HRH3
SCHEMBL8919908 0.74 ALDH1A1 (0.58) KLKB1RAB9AALDH1A1HRH3NPC1
SCHEMBL24130698 0.72 RAB9A (0.64) RAB9ASMN1; SMN2ALDH1A1HRH3MAPT
SCHEMBL16837072 0.72 KDM4E (0.46) KLKB1SMN1; SMN2HRH3KMT2AMEN1

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
CN-1046268-C Indolin-2-one derivatives CHUGAI PHARMACEUTICAL CO LTD (JP) 1999-11-10 CN disclosed
CN-1117727-A Indolin-2-one derivative CHUGAI PHARMACEUTICAL CO LTD (JP) 1996-02-28 CN disclosed