SCHEMBL24258314

SCHEMBL24258314

N=C(NN)c1ccc(CN)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 6/20 0.59
F10 P00742 1/20 0.59
HDAC3 O15379 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
ST14 Q9Y5Y6 2/20 0.44
ABAT P80404 1/20 0.44
HRH3 Q9Y5N1 1/20 0.42
PLAU P00749 2/20 0.41
PRSS1 P07477 2/20 0.41
PLG P00747 1/20 0.41
PLAT P00750 1/20 0.41
KLKB1 P03952 1/20 0.41
TPSAB1 Q15661 2/20 0.39
F11 P03951 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
TAAR1 Q96RJ0 1/20 0.37

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
SCHEMBL2849627 0.83 MPO (0.39) LOXL2F10ST14PLAUPRSS1
SCHEMBL5154706 0.83 LOXL2 (0.59) LOXL2F10HDAC3HDAC6NCOR2
Hydrochloric Acid SCHEMBL18300491 0.81 LOXL2 (0.57) LOXL2F10HDAC3HDAC6NCOR2
SCHEMBL6960774 0.81 SMN1; SMN2 (0.50) LOXL2F10PLAUPRSS1PLG
SCHEMBL8363408 0.81 LOXL2 (0.57) LOXL2F10HDAC3HDAC6NCOR2
Hydrochloric Acid SCHEMBL6743128 0.81 LOXL2 (0.57) LOXL2F10HDAC3HDAC6NCOR2
Hydrochloric Acid SCHEMBL28579848 0.79 LOXL2 (0.55) LOXL2F10HDAC3HDAC6NCOR2
SCHEMBL3150195 0.78 LOXL2 (0.56) LOXL2F10HDAC3HDAC6NCOR2
SCHEMBL6962838 0.78 PLAU (0.51) LOXL2PLAUTAAR1
SCHEMBL6962758 0.78 PLK1 (0.50)

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
EP-3177612-B1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION AS (DK) 2022-02-23 EP disclosed