SCHEMBL6561944

SCHEMBL6561944

Cc1cc(C#CCNc2ccc(C(=N)N)cc2)ccc1C(=O)N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.43
PIK3CA P42336 3/20 0.43
MTOR P42345 3/20 0.43
ACACB O00763 3/20 0.41
KMT2A Q03164 1/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
PABPC1 P11940 1/20 0.39
WDR5 P61964 1/20 0.39
MYC P01106 1/20 0.38
RORC P51449 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL6561958 0.91 ACACB (0.49) F10ACACBKMT2AHPGD
SCHEMBL6562282 0.86 PIK3CA (0.44) F10PIK3CAMTORACACB
SCHEMBL6561848 0.84 KDM1A (0.41) PIK3CAMTORACACB
SCHEMBL6563060 0.84 SMN1; SMN2 (0.41) F10PIK3CAMTORACACBHPGD
SCHEMBL6563686 0.83 F10 (0.46) F10KMT2AHPGDSMN1; SMN2ALDH1A1
SCHEMBL6561973 0.83 JAK1 (0.38) PIK3CAMTORACACBKMT2AHPGD
SCHEMBL6565351 0.82 F10 (0.44) F10ACACB
SCHEMBL5885702 0.82 ACACB (0.46) F10ACACBKMT2AHPGDALDH1A1
SCHEMBL6565512 0.81 GAA (0.40) F10ACACBKMT2AHPGDALDH1A1
Hydrochloric Acid SCHEMBL5886024 0.81 ACACB (0.46) F10ACACBKMT2AHPGDALDH1A1

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