SCHEMBL17066960

SCHEMBL17066960

CCn1nc(C(F)(F)F)c2c1CC(C)C2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.36
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 3/20 0.35
GAA P10253 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 2/20 0.33
POLQ O75417 1/20 0.33
CYP1A2 P05177 3/20 0.33
CYP2C19 P33261 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.33
CYP3A4 P08684 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPK1 P28482 1/20 0.32
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TP53 P04637 1/20 0.31
CYP2D6 P10635 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
SCHEMBL18854134 0.83 LMNA (0.38) LMNATDP1TSHRGAANPSR1
SCHEMBL24909975 0.81 LMNA (0.60) LMNATDP1TSHRGAANPSR1
SCHEMBL15730230 0.78 CYP1A2 (0.35) LMNATDP1TSHRGAANPSR1
SCHEMBL17066978 0.76 LMNA (0.42) LMNATDP1TSHRGAANPSR1
SCHEMBL17066895 0.76 LMNA (0.42) LMNATDP1TSHRGAANPSR1
SCHEMBL23501956 0.75 TDP1 (0.39) LMNATDP1TSHRGAANPSR1
SCHEMBL15723697 0.75 CYP1A2 (0.33) LMNACYP1A2CYP2C19TP53
SCHEMBL20371630 0.73 TDP1 (0.59) LMNATDP1TSHRGAANPSR1
SCHEMBL14555306 0.73 LMNA (0.63) LMNATDP1TSHRGAANPSR1
SCHEMBL17066937 0.72 LMNA (0.64) LMNATDP1TSHRGAANPSR1

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
EP-2729448-B1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES INC (US) 2015-09-09 EP disclosed