SCHEMBL8190031

SCHEMBL8190031

O=CNCCc1ccnnc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.44
HSD17B10 Q99714 1/20 0.38
KCNQ2 O43526 1/20 0.35
ADH1B P00325 2/20 0.34
ADH1A P07327 2/20 0.34
ADH7 P40394 2/20 0.34
ADH1C P00326 1/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31

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
SCHEMBL8183845 0.81 ADH1B (0.50) LOXL2HSD17B10KCNQ2ADH1BADH1A
SCHEMBL1302123 0.79 TDP1 (0.46) LOXL2LMNAMEN1KMT2AALDH1A1
SCHEMBL1661204 0.79 LOXL2 (0.48) LOXL2HSD17B10KCNQ2HCAR2
SCHEMBL1303904 0.76 CYP1A2 (0.53) MEN1KMT2ASMN1; SMN2
SCHEMBL8763412 0.75 LMNA (0.50) ADH1BADH1AADH7ADH1CLMNA
SCHEMBL18162782 0.75 TAAR1 (0.48) LOXL2HSD17B10LMNAMEN1KMT2A
SCHEMBL20037805 0.71 GAA (0.53) LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL5361823 0.71 LMNA (0.36) HSD17B10ADH1BADH1AADH7ADH1C
SCHEMBL8691993 0.71
SCHEMBL8191341 0.71 ADH1B (0.34) ADH1BADH1AADH7ADH1CLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6140338-A FOR TREATING ACUTE INFLAMMATORY DISEASES, CHRONIC INFLAMMATORY DISEASES, ACQUIRED IMMUNE DEFICIENCY SYNDROME, CANCER, ISCHEMIC REFLOW DISORDER AND/OR ARTERIOSCLEROSIS BANYU PHARMACEUTICAL, CO., LTD. (JP) 2000-10-31 US disclosed
EP-0916668-A1 CHEMOKINE RECEPTOR ANTAGONISTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-05-19 EP disclosed