SCHEMBL23399778

SCHEMBL23399778

CCCCc1cnn(-c2ccccc2C)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.41
MAPK14 Q16539 1/20 0.39
HSP90AA1 P07900 1/20 0.38
SMO Q99835 1/20 0.37
ALDH1A1 P00352 4/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPBWR1 P48145 1/20 0.36
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BRD9 Q9H8M2 1/20 0.35
BRD7 Q9NPI1 1/20 0.35
HSD11B1 P28845 1/20 0.34
GRM5 P41594 1/20 0.34

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
SCHEMBL23398492 0.91 HIF1A (0.42) HIF1AMAPK14HSP90AA1SMOALDH1A1
SCHEMBL23398645 0.85 MAPK14 (0.46) HIF1AMAPK14SMOALDH1A1MAPT
SCHEMBL23398637 0.81 NR4A3 (0.43) SMOALDH1A1MAPTKDM4ELMNA
SCHEMBL23398929 0.80 HIF1A (0.43) HIF1AMAPK14HSP90AA1SMOALDH1A1
SCHEMBL23398554 0.78 MEN1 (0.41) HIF1AMAPK14HSP90AA1SMOALDH1A1
SCHEMBL24294540 0.78 MAPK14 (0.38) HIF1AMAPK14HSP90AA1SMOALDH1A1
SCHEMBL23398771 0.77 RAB9A (0.41) HIF1AALDH1A1MAPTLMNATP53
SCHEMBL23400221 0.76 MAPK14 (0.48) HIF1AMAPK14ALDH1A1MAPTKDM4E
SCHEMBL23399736 0.76 ALDH1A1 (0.42) ALDH1A1MAPTKDM4ELMNATP53
SCHEMBL23402728 0.75 POLB (0.38) HSP90AA1ALDH1A1MAPTKDM4ELMNA

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed