SCHEMBL11074239

SCHEMBL11074239

CCCCc1ccc2[nH]nnc2c1-c1ccccc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.41
CTSG P08311 4/20 0.41
GCGR P47871 2/20 0.38
TYR P14679 1/20 0.36
PDE5A O76074 1/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
APAF1 O14727 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
STAT6 P42226 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
IDO1 P14902 1/20 0.34
TLR8 Q9NR97 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GFER P55789 1/20 0.33

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
SCHEMBL15020976 0.96 GCGR (0.42) ELANECTSGGCGRTYRPDE5A
SCHEMBL11666453 0.95 ELANE (0.43) ELANECTSGGCGRTYRLMNA
SCHEMBL15020254 0.84 GCGR (0.43) ELANECTSGGCGRTYRPDE5A
SCHEMBL991777 0.84 IDO1 (0.36) LMNAMEN1KMT2AIDO1ALDH1A1
SCHEMBL27669182 0.84 NR1H2 (0.39) ELANECTSG
SCHEMBL1938294 0.82 HSD11B1 (0.38) GCGRKDM4ETLR8
SCHEMBL15058924 0.81 TRPA1 (0.36) ELANECTSGTLR8
SCHEMBL28489734 0.80 KAT8 (0.41) TYRLMNAKDM4EMEN1MAPT
SCHEMBL2731449 0.79 GABRA1 (0.38) ELANELMNAKDM4EMEN1POLB
SCHEMBL1020448 0.78 TYR (0.41) ELANECTSGTYRKDM4EMEN1

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
US-4469829-A SOLAR RADIATION RESISTANCE CHEMISCHE WERKE HULS AG (DE) 1984-09-04 US disclosed