Sugi Predict

Sugi Predict / Compounds / SCHEMBL14918189

SCHEMBL14918189

SCHEMBL14918189

CSc1nc(NCc2ncc(-c3noc(C(F)(F)F)n3)cn2)cc(-c2cccnc2)n1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 17/20 0.53
▸ HDAC1 Q13547 16/20 0.53
▸ HDAC4 P56524 11/20 0.53
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ HDAC8 Q9BY41 7/20 0.47

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
SCHEMBL14918271 0.90 HDAC6 (0.61) HDAC6HDAC1HDAC4HDAC8
SCHEMBL14917848 0.89 HDAC1 (0.61) HDAC6HDAC1HDAC4HDAC8
SCHEMBL17394582 0.87 HDAC6 (0.56) HDAC6HDAC1HDAC4CYP3A4CYP2C9
SCHEMBL14918138 0.85 HDAC6 (0.57) HDAC6HDAC1HDAC4CYP3A4HDAC8
SCHEMBL14917947 0.83 HDAC6 (0.59) HDAC6HDAC1HDAC4HDAC8
SCHEMBL14917912 0.83 HDAC6 (0.59) HDAC6HDAC1HDAC4HDAC8
SCHEMBL14918136 0.80 HDAC6 (0.59) HDAC6HDAC1HDAC4HDAC8
SCHEMBL14918170 0.80 HDAC6 (0.63) HDAC6HDAC1HDAC4CYP3A4CYP2C9
SCHEMBL14918355 0.78 HDAC6 (0.60) HDAC6HDAC1HDAC4HDAC8
SCHEMBL17394598 0.77 HDAC6 (0.65) HDAC6HDAC1HDAC4HDAC8

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
WO-2013066839-A2 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2013-05-10 — — WO claimed
WO-2013066839-A2 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2013-05-10 — — WO disclosed