SCHEMBL29836728

SCHEMBL29836728

Nc1ccc(-c2ccccc2C(F)(F)F)c(-c2cc(N)ccc2-c2ccccc2C(F)(F)F)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.64
POLB P06746 2/20 0.64
GLA P06280 1/20 0.64
GAA P10253 1/20 0.64
PTPRC P08575 3/20 0.55
NPC1 O15118 3/20 0.50
ALDH1A1 P00352 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 2/20 0.50
HPGD P15428 2/20 0.50
MEN1 O00255 1/20 0.50
APAF1 O14727 1/20 0.50
TDP2 O95551 1/20 0.50
NSD2 O96028 1/20 0.50
PLA2G1B P04054 1/20 0.50
CTSL P07711 1/20 0.50
ALOX12 P18054 1/20 0.50
PLCG1 P19174 1/20 0.50
CTSS P25774 1/20 0.50

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
SCHEMBL29518230 1.00 TSHR (0.64) TSHRPOLBGLAGAAPTPRC
SCHEMBL5851670 1.00 TSHR (0.64) TSHRPOLBGLAGAAPTPRC
SCHEMBL8143935 0.90 TSHR (0.80) TSHRPOLBGLAGAAPTPRC
SCHEMBL28381351 0.90 TSHR (0.56) TSHRPOLBGLAGAAPTPRC
SCHEMBL29836738 0.87 TSHR (0.50) TSHRPOLBGLAGAAPTPRC
SCHEMBL2478064 0.87 TSHR (0.57) TSHRPOLBGLAGAAPTPRC
SCHEMBL693143 0.87 TSHR (0.62) TSHRPOLBGLAGAAPTPRC
SCHEMBL28912663 0.87 TSHR (0.53) TSHRPOLBGLAGAAPTPRC
SCHEMBL28548702 0.87 TSHR (0.53) TSHRPOLBGLAGAAPTPRC
SCHEMBL5685394 0.85 TSHR (0.60) TSHRPOLBGLAGAAPTPRC

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-115011116-A Polyimide film 株式会社斗山 2022-09-06 CN disclosed
CN-114854196-A Polyimide film 株式会社斗山 2022-08-05 CN disclosed