SCHEMBL10168975

SCHEMBL10168975

Cc1nc(NCc2ccccn2)nc(Nc2cccc(S(=O)(=O)O)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.49
TNNI3K Q59H18 2/20 0.43
SYK P43405 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
VNN1 O95497 1/20 0.42
PTK2 Q05397 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
ALOX15 P16050 1/20 0.40
IDH2 P48735 1/20 0.40

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
SCHEMBL10168977 0.87 KCNH2 (0.45) KCNH2SYKALDH1A1GAAMAOA
SCHEMBL10168983 0.84 PDE5A (0.53) GAASMN1; SMN2LMNAHTT
SCHEMBL10168989 0.82 PDE5A (0.46) TNNI3KGAA
SCHEMBL10168999 0.78 VCP (0.47) TNNI3KSYKGAASMN1; SMN2NPC1
SCHEMBL10490862 0.77 SNCA (0.54) TNNI3KSYKALDH1A1PTK2TSHR
SCHEMBL10174729 0.77 TNNI3K (0.46) TNNI3KSYKPTK2
SCHEMBL18421634 0.76 SNCA (0.62) TNNI3KGAASMN1; SMN2NPC1RAB9A
SCHEMBL12589915 0.76 NFKB1 (0.54) TNNI3KSYKALDH1A1PTK2
SCHEMBL12432797 0.76 CA1 (0.56) TNNI3KLMNA
SCHEMBL9924664 0.75 PDE5A (0.53) TNNI3KPTK2SMN1; SMN2LMNAHTT

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-8657433-B2 Porphyrazine coloring matter, ink composition, recording method, and colored object NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2014-02-25 US disclosed
US-20120081457-A1 PORPHYRAZINE COLORING MATTER, INK COMPOSITION, RECORDING METHOD, AND COLORED OBJECT NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2012-04-05 US disclosed