Sugi Predict

Sugi Predict / Compounds / SCHEMBL5314867

SCHEMBL5314867

SCHEMBL5314867

Cc1nn(C(C)c2ccccc2)c(=O)c(CCc2ccccc2)c1-c1ccccc1O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 14/20 0.44
▸ ADORA1 P30542 3/20 0.37
▸ TP53 P04637 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ NR1I2 O75469 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL5313085 0.90 CASR (0.51) CASR
SCHEMBL5311949 0.90 CASR (0.47) CASRNR1I2
SCHEMBL5315640 0.83 BRD4 (0.40) ADORA1MAPT
SCHEMBL5313138 0.80 CASR (0.53) CASRTP53MAPTNR1I2SMN1; SMN2
SCHEMBL5308386 0.79 CASR (0.54) CASR
SCHEMBL5310159 0.77 PDE4A (0.41) CASRTP53MAPTADORA3SMN1; SMN2
SCHEMBL5310470 0.77 KDM4E (0.41) CASRTP53MAPT
SCHEMBL5310171 0.76 CASR (0.42) CASRTP53MAPT
SCHEMBL5308833 0.75 CASR (0.43) CASRMAPT
SCHEMBL5477121 0.75 CASR (0.47) CASRADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007044796-A2 PYRIDAZINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2007-04-19 — — WO claimed
WO-2007044796-A2 PYRIDAZINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2007-04-19 — — WO disclosed
WO-2007044796-A2 PYRIDAZINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2007-04-19 — — WO disclosed