SCHEMBL24372008

SCHEMBL24372008

CCC(F)(F)c1ccc(I)cc1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.36
TRPV1 Q8NER1 2/20 0.35
NR1H2 P55055 3/20 0.34
NR1H3 Q13133 3/20 0.34
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
AR P10275 1/20 0.30

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
SCHEMBL3724473 0.82 ESR1 (0.38) APPTRPV1NR1H2NR1H3ESR1
SCHEMBL19426802 0.78 TSHR (0.46) NR1H2NR1H3ESR1ESR2NPC1
SCHEMBL11922 0.76 CA1 (0.42) TRPV1NR1H2NR1H3ESR1ESR2
SCHEMBL17080489 0.76 TRPV1 (0.39) APPTRPV1NR1H2NR1H3ESR1
SCHEMBL8327958 0.76 CYP19A1 (0.46) ESR1ESR2
SCHEMBL16546589 0.76 CNR2 (0.41) ESR1ESR2
SCHEMBL13440 0.75 TSHR (0.50)
SCHEMBL13016 0.75 NPC1 (0.50) APPESR1ESR2NPC1MAPT
SCHEMBL22671428 0.74 IDO1 (0.33) MAPTRAB9A
Iodide SCHEMBL5175074 0.73 NPC1 (0.48) APPNPC1MAPTRAB9A

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-3988547-A1 INDAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL APPLICATION THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2022-04-27 EP disclosed