SCHEMBL27914985

SCHEMBL27914985

C1=Nc2ccc(Cc3ccccc3)cc2C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.42
CALM1 P0DP23 1/20 0.41
PARP11 Q9NR21 1/20 0.41
HNF4A P41235 1/20 0.37
LTA4H P09960 2/20 0.35
TACR1 P25103 2/20 0.35
TACR3 P29371 2/20 0.35
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
MPO P05164 1/20 0.33
PLA2G10 O15496 1/20 0.33
PLA2G2A P14555 1/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL24595463 0.77 TRPA1 (0.36) LMNAALDH1A1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL29861109 0.72
SCHEMBL60763 0.72
SCHEMBL20019585 0.72 GABRA1 (0.40) LMNAALDH1A1
Bromide SCHEMBL30657202 0.71 TRPA1 (0.43) ALDH1A1RAB9ASMN1; SMN2
SCHEMBL29940088 0.71 TRPA1 (0.43) ALDH1A1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL29459702 0.71 TRPA1 (0.43) LMNAALDH1A1RAB9ASMN1; SMN2
Ammonia Solution, Strong SCHEMBL23326973 0.71 TRPA1 (0.43) ALDH1A1RAB9ASMN1; SMN2
Iodide SCHEMBL29564978 0.71 TRPA1 (0.43) ALDH1A1RAB9ASMN1; SMN2
Bromide SCHEMBL30099792 0.71 TRPA1 (0.43) ALDH1A1RAB9ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103874482-B Liposome complex 国立大学法人鸟取大学 2016-08-24 CN disclosed
CN-105585872-A Asymmetric near-infrared cyanine dye and preparing method and application thereof UNIV TSINGHUA 2016-05-18 CN disclosed
CN-103038629-A Fluorescent probe for imaging lymph nodes UNIV CHIBA NAT UNIV CORP 2013-04-10 CN disclosed