SCHEMBL8567884

SCHEMBL8567884

CC(O)C#Cc1nc2c(ccc3ccccc32)s1.CCCS(=O)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.43
MEN1 O00255 6/20 0.38
KMT2A Q03164 6/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 5/20 0.35
KDM4E B2RXH2 3/20 0.35
HTT P42858 2/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 4/20 0.34
ALOX12 P18054 1/20 0.34
SLC6A9 P48067 1/20 0.32
AKR1B1 P15121 2/20 0.32
HCRTR1 O43613 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
SCHEMBL8567887 0.83 MEN1 (0.40) XIAPMEN1KMT2APOLBSMN1; SMN2
SCHEMBL8408656 0.79 RAB9A (0.45) XIAPMEN1KMT2APOLBSMN1; SMN2
SCHEMBL9301190 0.68 XIAP (0.48) XIAPMEN1KMT2APOLBSMN1; SMN2
SCHEMBL12083710 0.67 TSHR (0.47) KMT2APOLBSMN1; SMN2ALDH1A1HPGD
SCHEMBL9304343 0.65 XIAP (0.46) XIAPMEN1KMT2APOLBSMN1; SMN2
Naphthalene SCHEMBL30775918 0.65 GAA (0.43) POLBSMN1; SMN2ALDH1A1HPGDKDM4E
Naphthalene SCHEMBL12468496 0.65 GAA (0.43) POLBSMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL28962431 0.63 MEN1 (0.76) XIAPMEN1KMT2APOLBSMN1; SMN2
SCHEMBL9301396 0.63 XIAP (0.43) XIAPMEN1KMT2APOLBSMN1; SMN2
SCHEMBL303457 0.62 XIAP (0.46) XIAPMEN1KMT2APOLBSMN1; 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-0565121-B1 Silver halide photographic light-sensitive material FUJI PHOTO FILM CO LTD (JP) 1999-07-14 EP disclosed
US-5559240-A METHINE AND THIAZOLE DYES; STORAGE STABILITY; DISCOLORATION INHIBITION FUJI PHOTO FILM CO., LTD. (JP) 1996-09-24 US disclosed
US-5397693-A Methine dyes FUJI PHOTO FILM CO., LTD. (JP) 1995-03-14 US disclosed
EP-0565121-A1 Silver halide photographic light-sensitive material FUJI PHOTO FILM CO., LTD. (JP) 1993-10-13 EP disclosed