SCHEMBL28279803

SCHEMBL28279803

NC1Cc2ccccc2NC1Cl

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
AR P10275 1/20 0.39
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
PLAU P00749 1/20 0.35
ANPEP P15144 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34
HTR2A P28223 1/20 0.33
IDO1 P14902 1/20 0.33
TSHR P16473 1/20 0.33
KDM1A O60341 2/20 0.32
HTR5A P47898 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
SCHEMBL5326423 0.83 MAPT (0.48) GAAMAPTARBRD4CREBBP
SCHEMBL22341668 0.79 GAA (0.48) GAAMAPTARBRD4CREBBP
SCHEMBL5832175 0.77 GAA (0.50) GAAMAPTARBRD4CREBBP
SCHEMBL26425605 0.77 GAA (0.50) GAAMAPTARBRD4CREBBP
SCHEMBL6954505 0.77 MAPT (0.50) GAAMAPTARBRD4CREBBP
Hydrochloric Acid SCHEMBL28767116 0.74 GAA (0.49) GAAMAPTARBRD4CREBBP
SCHEMBL27299860 0.72 GAA (0.46) GAAMAPTARBRD4CREBBP
SCHEMBL30059612 0.72 MAPT (0.53) GAAMAPTARBRD4CREBBP
Hydrochloric Acid SCHEMBL27619269 0.71 GAA (0.45) GAAMAPTARBRD4CREBBP
SCHEMBL12841651 0.70 CREBBP (0.39) GAAMAPTBRD4CREBBPIDO1

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
CN-109475530-A For treating the aminoacyl indazole immunomodulator of autoimmune disease 洛克菲勒大学 2019-03-15 CN disclosed