SCHEMBL31388015

SCHEMBL31388015

CC(C)(C)c1cc(N)n(-c2cc(F)ccc2F)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ESR1 P03372 1/20 0.36
ALDH1A1 P00352 2/20 0.35
NTRK1 P04629 1/20 0.35
NTRK3 Q16288 1/20 0.35
NTRK2 Q16620 1/20 0.35
TRPV1 Q8NER1 3/20 0.34
CNR2 P34972 2/20 0.34
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33
MAPK14 Q16539 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CDK8 P49336 1/20 0.33
MAPK13 O15264 1/20 0.32

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
SCHEMBL1408369 1.00 KDM4E (0.38) KDM4ELMNAMEN1NPC1RAB9A
SCHEMBL4460942 0.88 CNR2 (0.42) KDM4ELMNAMEN1NPC1RAB9A
SCHEMBL30704928 0.88 CNR2 (0.42) KDM4ELMNAMEN1NPC1RAB9A
SCHEMBL16280513 0.85 ESR1 (0.37) KDM4ELMNAKMT2AESR1ALDH1A1
SCHEMBL1015406 0.83 MAPK14 (0.40) KDM4EMEN1KMT2AALDH1A1NTRK1
SCHEMBL31388014 0.83 MAPK14 (0.40) KDM4EMEN1KMT2AALDH1A1NTRK1
SCHEMBL16280160 0.82 ALDH1A1 (0.37) KDM4EALDH1A1TRPV1GRNSORT1
SCHEMBL3301591 0.80 CYP1A2 (0.49) LMNAMEN1NPC1RAB9AKMT2A
SCHEMBL274692 0.80 NPC1 (0.57) KDM4ELMNAMEN1NPC1RAB9A
SCHEMBL16280069 0.77 SLC6A2 (0.34) SMN1; SMN2MAPK14CDK8

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-119490458-A C-3 pyrazole substituted indazole derivative and application thereof 沈阳药科大学 2025-02-21 CN disclosed
WO-2025035645-A1 C-3 PYRAZOLE SUBSTITUTED INDAZOLE DERIVATIVE AND USE THEREOF 沈阳药科大学 2025-02-20 WO disclosed