SCHEMBL6035962

SCHEMBL6035962

SNCCC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 14/20 0.50
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
KCNH2 Q12809 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KCNN4 O15554 2/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
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
SCHEMBL27916947 0.83 KIF11 (0.53) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL5282081 0.79 KIF11 (0.48) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL11097246 0.79 KIF11 (0.48) KIF11CYP11B1CYP11B2KCNH2CYP3A4
SCHEMBL1149158 0.79 KIF11 (0.64) KIF11CYP11B1CYP11B2KCNH2CYP3A4
SCHEMBL5308454 0.76 KCNN4 (0.47) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL3414508 0.75 KIF11 (0.74) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL6555564 0.75 KIF11 (0.54) KIF11CYP11B1CYP11B2KCNH2CYP3A4
SCHEMBL5819108 0.74 LMNA (0.45) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL5297663 0.74 KIF11 (0.44) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL24371155 0.74 CYP2C19 (0.45) CYP3A4CYP2C9CYP2C19ALDH1A1SMN1; SMN2

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
US-20060216775-A1 Compositions and methods for analysis and manipulation of enzymes in biosynthetic proteomes THE REGENTS OF THE UNIVERSITY OF CALIFOENIA (US) 2006-09-28 US disclosed
WO-2005003307-A2 COMPOSITIONS AND METHODS FOR ANALYSIS AND MANIPULATION OF ENZYMES IN BIOSYNTHETIC PROTEOMES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-01-13 WO disclosed
WO-1991015242-A1 CONJUGATE COMPOUNDS OF POLYMERS WITH OTHER ORGANIC MOLECULAR ENTITIES SCHACHT ETIENNE HONORE (BE) 1991-10-17 WO disclosed