SCHEMBL6563457

SCHEMBL6563457

Cc1cc(C#CCNc2ccc(C(=N)NC(=O)OC(C)(C)C)cc2)ccc1C(=O)N(C)C1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.37
PTPN11 Q06124 1/20 0.35
F2 P00734 7/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
F2R P25116 3/20 0.33
CNR2 P34972 1/20 0.33
F10 P00742 1/20 0.33
HPGD P15428 2/20 0.33
RAB9A P51151 3/20 0.31
NPC1 O15118 2/20 0.31
POLB P06746 2/20 0.31
TSHR P16473 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
SCHEMBL6565492 0.87 CNR2 (0.39) ACACBPTPN11MEN1KMT2ASMN1; SMN2
SCHEMBL6563526 0.87 PTPN11 (0.38) ACACBPTPN11
SCHEMBL6561879 0.85 PTPN11 (0.38) ACACBPTPN11MEN1KMT2ASMN1; SMN2
SCHEMBL6564290 0.84 ACACB (0.39) ACACBF2CNR2F10HPGD
SCHEMBL6563495 0.83 PTPN11 (0.36) ACACBPTPN11
SCHEMBL6563430 0.82 PTPN11 (0.33) PTPN11
SCHEMBL6565533 0.82 ACACB (0.45) ACACBPTPN11MEN1KMT2ACNR2
SCHEMBL6565417 0.82 PTPN11 (0.36) ACACBPTPN11HPGDNPC1
SCHEMBL6563395 0.80 PTPN11 (0.35) PTPN11
SCHEMBL6565215 0.79 PIK3CA (0.38) ACACBPTPN11

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