SCHEMBL19309488

SCHEMBL19309488

N=C(N)c1ccc(CNC(=O)C2CCNCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
F2 P00734 16/20 0.60
HDAC6 Q9UBN7 1/20 0.51
MASP2 O00187 1/20 0.50
HTR2C P28335 1/20 0.50
F7 P08709 1/20 0.49
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
TPSAB1 Q15661 1/20 0.48
TPSD1 Q9BZJ3 1/20 0.48
TPSG1 Q9NRR2 1/20 0.48

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
SCHEMBL7989963 0.86 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2F2HDAC6HTR2C
SCHEMBL6606024 0.82 F2 (0.61) F2MASP2HTR2C
SCHEMBL15624767 0.82 F2 (0.57) F2
SCHEMBL172079 0.80 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2HTR2C
SCHEMBL13746002 0.80 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2HDAC6HTR2C
SCHEMBL13745651 0.80 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2HTR2C
SCHEMBL4037264 0.80 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2HTR2C
SCHEMBL526330 0.80 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2HTR2C
SCHEMBL8809131 0.79 HTR2C (0.64) F2MASP2HTR2C
Hydrochloric Acid SCHEMBL6479155 0.79 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2HTR2C

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-9752149-B2 Matriptase inhibitors and uses thereof against orthomyxoviridae infections SOCPRA Sciences Sante et Humaines S.E.C. (CA) 2017-09-05 US disclosed