SCHEMBL3797997

SCHEMBL3797997

CC(C)(CC(N)C(F)(F)F)c1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 4/20 0.35
KIF11 P52732 3/20 0.34
USP2 O75604 1/20 0.32
RAB9A P51151 1/20 0.32
CYP3A4 P08684 1/20 0.32
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31

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
SCHEMBL20097983 0.75 KIF11 (0.39) AAK1KIF11USP2RAB9ACYP3A4
SCHEMBL8744330 0.70 TAAR1 (0.60) KIF11USP2RAB9A
SCHEMBL12197886 0.69 AAK1 (0.40) AAK1KIF11USP2RAB9ACYP3A4
SCHEMBL8057442 0.68 RAB9A (0.44) KIF11USP2RAB9A
SCHEMBL2705790 0.67 KIF11 (0.48) KIF11USP2RAB9A
SCHEMBL30947614 0.67 KIF11 (0.48) KIF11USP2RAB9A
SCHEMBL18682641 0.66 SHBG (0.56) KIF11USP2RAB9ACYP3A4
SCHEMBL22317811 0.66 HDAC8 (0.42) KIF11USP2RAB9A
SCHEMBL10487429 0.66 KIF11 (0.41) KIF11USP2RAB9A
SCHEMBL16455578 0.66 KIF11 (0.41) KIF11USP2RAB9ACYP3A4

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
EP-2190431-A2 COMPOSITIONS COMPRISING A DISSOCIATED GLUCOCORTICOID RECEPTOR AGONIST FOR TREATING OR CONTROLLING ANTERIOR-SEGMENT INFLAMMATION Bausch & Lomb Incorporated (US) 2010-06-02 EP disclosed
WO-2009023471-A2 COMPOSITIONS COMPRISING A DISSOCIATED GLUCOCORTICOID RECEPTOR AGONIST FOR TREATING OR CONTROLLING ANTERIOR-SEGMENT INFLAMMATION BAUSCH & LOMB INCORPORATED (US) 2009-02-19 WO disclosed