SCHEMBL21190098

SCHEMBL21190098

Fc1ccc(CSS/C=C\CSCc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 2/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
EPHX1 P07099 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CTSB P07858 1/20 0.35
PLA2G1B P04054 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
TP53 P04637 1/20 0.34
KMT2A Q03164 1/20 0.34
IDO1 P14902 2/20 0.33
HPGD P15428 1/20 0.33
PKM P14618 1/20 0.33
MAOB P27338 1/20 0.33
CYP2C19 P33261 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
SCHEMBL21190121 1.00 LMNA (0.36) LMNAMAPTPOLBTSHRRAB9A
SCHEMBL21189959 0.91 MAOB (0.40) LMNAPOLBRAB9AALDH1A1IDO1
SCHEMBL21189912 0.91 MAOB (0.40) LMNAPOLBRAB9AALDH1A1IDO1
SCHEMBL19786100 0.85 ALDH1A1 (0.39) LMNAMAPTPOLBRAB9AALDH1A1
SCHEMBL19785863 0.84 ALDH1A1 (0.40) LMNAMAPTRAB9AEPHX1ALDH1A1
SCHEMBL19786064 0.84 ALDH1A1 (0.40) LMNAMAPTRAB9AEPHX1ALDH1A1
SCHEMBL21189907 0.82 SMN1; SMN2 (0.35) ALDH1A1TP53KMT2AIDO1HPGD
SCHEMBL21189955 0.82 SMN1; SMN2 (0.35) ALDH1A1TP53KMT2AIDO1HPGD
SCHEMBL21190016 0.81 LTA4H (0.46) LMNAMAPTTSHRRAB9AEPHX1
SCHEMBL21189913 0.81 LTA4H (0.46) LMNAMAPTTSHRRAB9AEPHX1

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
WO-2019143143-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING NEUROBLASTOMA OR RHEUMATOID ARTHRITIS 숙명여자대학교 산학협력단 2019-07-25 WO disclosed
WO-2019143142-A1 NOVEL PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING GLIOBLASTOMA 숙명여자대학교 산학협력단 2019-07-25 WO disclosed