SCHEMBL18924693

SCHEMBL18924693

CCn1cc(C(=O)NCc2ccc(CN)cc2)nn1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 11/20 0.67
MLLT1 Q03111 1/20 0.48
GLS O94925 5/20 0.47
TPSAB1 Q15661 1/20 0.45
MIF P14174 1/20 0.45

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
SCHEMBL17546583 0.84 KLKB1 (0.60) KLKB1MLLT1GLSTPSAB1MIF
SCHEMBL18924765 0.83 KLKB1 (0.70) KLKB1GLS
SCHEMBL17540851 0.81 KLKB1 (0.56) KLKB1MLLT1GLSTPSAB1MIF
SCHEMBL15873751 0.81 KLKB1 (1.00) KLKB1
SCHEMBL18646129 0.77 ALDH1A1 (0.47) KLKB1GLS
SCHEMBL17503879 0.77 KLKB1 (0.69) KLKB1
SCHEMBL19322611 0.76 KLKB1 (0.64) KLKB1MLLT1TPSAB1
Hydrochloric Acid SCHEMBL15873849 0.76 KLKB1 (0.68) KLKB1
SCHEMBL14115874 0.74 GLS (0.64) GLSMIF
SCHEMBL13787252 0.74 GLS (0.64) GLSMIF

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
US-9670157-B2 Benzylamine derivatives KALVISTA PHARMACEUTICALS LIMITED (GB) 2017-06-06 US disclosed