SCHEMBL19780060

SCHEMBL19780060

CCCC(=O)c1cnn(Cc2ccc3ncc(Cl)cc3c2)c1N

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 15/20 0.51
TSHR P16473 1/20 0.50
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL19780049 0.84 NPC1 (0.67) KLKB1TSHRNPC1LMNAALDH1A1
SCHEMBL20531612 0.76 KLKB1 (0.63) KLKB1TSHR
SCHEMBL20531601 0.74 KLKB1 (0.62) KLKB1TSHR
SCHEMBL19780055 0.74 KMT2A (0.54) KLKB1NPC1LMNAALDH1A1KMT2A
SCHEMBL19780369 0.74 KLKB1 (0.61) KLKB1NPC1LMNAALDH1A1KMT2A
SCHEMBL19780317 0.70 KLKB1 (0.49) KLKB1
SCHEMBL20531458 0.70 PTGER4 (0.48) KLKB1
SCHEMBL21028252 0.70 KLKB1 (0.44) KLKB1
SCHEMBL20531434 0.69 KLKB1 (0.50) KLKB1TSHR
SCHEMBL19779784 0.69 KLKB1 (0.50) KLKB1

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-2018011628-A1 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2018-01-18 WO disclosed