SCHEMBL28516693

SCHEMBL28516693

Cn1ccc2cc(NC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
HTR2B P41595 3/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
TP53 P04637 2/20 0.58
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2D6 P10635 2/20 0.58
CYP2C19 P33261 2/20 0.58
RECQL P46063 2/20 0.58
KDM4E B2RXH2 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
HTR2C P28335 6/20 0.57
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.56
LMNA P02545 1/20 0.56
CYP2C9 P11712 1/20 0.56
PKM P14618 1/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56

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
SCHEMBL30504234 1.00 MAPT (0.58) MAPTHTR2BMEN1KMT2ATP53
SCHEMBL22803948 0.91 HTR2B (0.59) MAPTHTR2BMEN1KMT2ATP53
SCHEMBL5780884 0.84 MAOB (0.51) MAPTHTR2BMEN1KMT2ATP53
SCHEMBL22803507 0.81 EPHX2 (0.58) MAPTHTR2BMEN1KMT2ATP53
SCHEMBL30504235 0.80 MAPT (0.62) MAPTHTR2BMEN1KMT2ATP53
SCHEMBL28514997 0.80 MAPT (0.62) MAPTHTR2BMEN1KMT2ATP53
SCHEMBL12110170 0.79 HTR2B (0.64) MAPTHTR2BMEN1KMT2ATP53
SCHEMBL1148605 0.78 HTR2B (0.62) MAPTHTR2BMEN1KMT2ATP53
SCHEMBL28516762 0.77 MAOB (0.74) MAPTHTR2BMEN1KMT2ATP53
SCHEMBL5777726 0.77 MAPT (0.46) MAPTCA12CA1CA2CA9

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
CN-111704714-B Benzo five-membered and six-membered cyclic (thio) urea catalyst and application thereof in ring-opening polymerization 浙江大学 2023-08-04 CN disclosed
CN-111704714-A Benzo five-membered and six-membered ring (thio) urea catalyst and application thereof in ring-opening polymerization 浙江大学 2020-09-25 CN disclosed