SCHEMBL12066413

SCHEMBL12066413

CC(C(=O)O)(c1cnccn1)C(C#N)C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.37
▸ NAPRT Q6XQN6 1/20 0.36
▸ HCAR2 Q8TDS4 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CTSL P07711 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ SLC22A12 Q96S37 4/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MC4R P32245 1/20 0.32
▸ ADRA1A P35348 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
SCHEMBL9978283 0.84 KDM4E (0.38) KDM4ELMNACTSLALOX15NPC1
SCHEMBL17765162 0.82 DGAT1 (0.34) —
SCHEMBL18982796 0.77 HSD11B1 (0.38) KDM4ESLC22A12
SCHEMBL17765122 0.77 KCNJ11 (0.34) LMNACTSLSLC22A12SMN1; SMN2
SCHEMBL18730405 0.74 NPC1 (0.39) KDM4ELMNAALOX15SLC22A12NPC1
SCHEMBL18730380 0.72 KDM4E (0.39) KDM4ESMN1; SMN2
SCHEMBL18498462 0.70 KDM4E (0.42) KDM4ENAPRTHCAR2LMNASLC22A12
SCHEMBL28511183 0.70 KDM4E (0.42) KDM4ENAPRTHCAR2LMNASLC22A12
SCHEMBL11249250 0.70 KDM4E (0.39) KDM4ENAPRTHCAR2LMNACTSL
SCHEMBL17765252 0.69 AGBL2 (0.36) KDM4ELMNASLC22A12NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011149921-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2011-12-01 — — WO disclosed
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