SCHEMBL9186152

SCHEMBL9186152

COC(=O)C(CCC#N)C(C)=O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
SLC1A2 P43004 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MME P08473 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
ZDHHC7 Q9NXF8 1/20 0.31
NLRP3 Q96P20 1/20 0.30

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
SCHEMBL19105368 0.90 TSHR (0.38) TSHRSLC1A2MEN1KMT2AMME
SCHEMBL11881750 0.87 ZDHHC7 (0.39) TSHRMEN1KMT2AMMECA1
SCHEMBL9432674 0.83 TSHR (0.42) TSHRSLC1A2MEN1KMT2ATP53
SCHEMBL855064 0.83 MEN1 (0.44) TSHRSLC1A2MEN1KMT2ASMN1; SMN2
SCHEMBL15455352 0.81 TSHR (0.41) TSHRSLC1A2MEN1KMT2ATP53
SCHEMBL4441158 0.79 SLC1A2 (0.47) TSHRSLC1A2MEN1KMT2ATP53
SCHEMBL4955166 0.76 TSHR (0.41) TSHRSLC1A2MEN1KMT2AMME
SCHEMBL9190854 0.76 TSHR (0.37) TSHRSLC1A2TP53NLRP3
SCHEMBL4771674 0.75 CA1 (0.45) TSHRMMECA1CA2SMN1; SMN2
SCHEMBL6922837 0.75 ZDHHC7 (0.47) TSHRMMECA1CA2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0530696-B1 Process for the preparation of pentane 1,5-diamines BASF AG (DE) 1995-08-09 EP disclosed
US-5344983-A Selective preparation of linear pentane-1,5-diamines in increased yields BASF AKTIENGESELLSCHAFT (DE) 1994-09-06 US disclosed
EP-0530696-A2 Process for the preparation of pentane 1,5-diamines BASF Aktiengesellschaft (DE) 1993-03-10 EP disclosed
US-4614807-A ANTIFERTILITY AGENTS ELI LILLY AND COMPANY (US) 1986-09-30 US disclosed