SCHEMBL22909512

SCHEMBL22909512

CCNCCNc1ncnc2[nH]ccc12

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 7/20 0.57
TTBK2 Q6IQ55 7/20 0.57
BTK Q06187 4/20 0.47
HDAC6 Q9UBN7 1/20 0.46
TNNI3K Q59H18 2/20 0.46
HPGDS O60760 1/20 0.46

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
SCHEMBL16266363 0.86 TTBK1 (0.61) TTBK1TTBK2BTKHDAC6TNNI3K
SCHEMBL23409028 0.84 TTBK1 (0.59) TTBK1TTBK2BTKHDAC6TNNI3K
Hydrochloric Acid SCHEMBL29729076 0.83 TTBK1 (0.58) TTBK1TTBK2BTKHDAC6TNNI3K
SCHEMBL8469366 0.82 S1PR2 (0.57) TTBK1TTBK2BTKHDAC6TNNI3K
SCHEMBL28451436 0.81 TTBK1 (0.62) TTBK1TTBK2BTKHDAC6HPGDS
SCHEMBL23409027 0.81 TTBK1 (0.62) TTBK1TTBK2BTKHDAC6HPGDS
SCHEMBL30485458 0.81 TTBK1 (0.62) TTBK1TTBK2BTKHDAC6HPGDS
SCHEMBL29665587 0.81 TTBK1 (0.62) TTBK1TTBK2BTKHDAC6HPGDS
SCHEMBL25069022 0.81 TTBK1 (0.56) TTBK1TTBK2BTKHDAC6HPGDS
SCHEMBL11828413 0.81 S1PR2 (0.59) TTBK1TTBK2BTKHDAC6TNNI3K

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
WO-2021009568-A1 BENZENESULFONAMIDE DERIVATIVES AND USES THEREOF 2692372 ONTARIO, INC. (CA) 2021-01-21 WO disclosed