SCHEMBL6563493

SCHEMBL6563493

Cn1ccnc1C(=O)c1ccc(I)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LDHA P00338 9/20 0.46
LDHB P07195 9/20 0.46
TSHR P16473 3/20 0.43
RAB9A P51151 1/20 0.43
NAMPT P43490 1/20 0.41
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
TPMT P51580 1/20 0.38

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
SCHEMBL5918187 0.83 LDHA (0.60) HTTALDH1A1LMNAKMT2AGAA
SCHEMBL6920434 0.83 MAPT (0.54) HTTALDH1A1LMNAKMT2AGAA
SCHEMBL1045991 0.83 SMN1; SMN2 (0.58) HTTALDH1A1LMNAKMT2AGAA
SCHEMBL4199041 0.81 HTT (0.47) HTTALDH1A1LMNAKMT2AGAA
SCHEMBL5604635 0.80 TSHR (0.49) HTTALDH1A1LMNAKMT2AGAA
SCHEMBL28865452 0.80 GAA (0.56) HTTALDH1A1LMNAKMT2AGAA
Bromide SCHEMBL7373319 0.78 RAB9A (0.48) HTTALDH1A1LMNAKMT2AGAA
SCHEMBL11669485 0.77 LDHA (0.52) HTTALDH1A1LMNAKMT2AGAA
SCHEMBL11669666 0.77 LDHA (0.47) HTTALDH1A1LMNAKMT2AGAA
SCHEMBL11671326 0.77 LDHA (0.58) HTTALDH1A1LMNAKMT2AGAA

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
EP-1140802-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA (DE) 2004-03-17 EP disclosed
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 US disclosed