SCHEMBL14587447

SCHEMBL14587447

C#CCNC(=O)c1c[nH]cn1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
LMNA P02545 1/20 0.37
GPX4 P36969 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
RIPK1 Q13546 1/20 0.34
ALDH1A1 P00352 1/20 0.33
RECQL P46063 1/20 0.33
ALOX15 P16050 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAOB P27338 1/20 0.33
JAK3 P52333 1/20 0.32
NAMPT P43490 1/20 0.32
CTH P32929 1/20 0.32

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
SCHEMBL1437259 0.81 CNR1 (0.41) LMNARIPK1ALOX15
SCHEMBL2995161 0.78 POLB (0.41) LMNAALDH1A1RECQLALOX15NPC1
SCHEMBL1437208 0.78 EGLN1 (0.35) ALDH1A1MAOB
SCHEMBL1437230 0.77 CNR1 (0.40) ALDH1A1SMN1; SMN2MAOB
SCHEMBL5806551 0.77 ALDH1A1 (0.33) ALDH1A1RECQLRAB9ASMN1; SMN2MAOB
SCHEMBL31634153 0.76 EGLN1 (0.49)
SCHEMBL32662983 0.76 KDM4E (0.45) LMNASMN1; SMN2MAOBNAMPT
SCHEMBL22372297 0.75 HPGD (0.48) LMNAALDH1A1RECQLNPC1RAB9A
SCHEMBL10245943 0.75 KDM4E (0.49) LMNAALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL1436858 0.74

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-7179907-B2 Antibiotic compounds SOMALOGIC OPERATING CO. INC. 2007-02-20 US disclosed
US-7179907-B2 Antibiotic compounds SOMALOGIC OPERATING CO. INC. 2007-02-20 US disclosed