SCHEMBL28865795

SCHEMBL28865795

Cc1cc(C)cc(-c2ccc3c(CC(F)C(F)F)cccc3n2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.34
MAPT P10636 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TACR1 P25103 1/20 0.33
NR1I3 Q14994 1/20 0.31
POLB P06746 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
DHODH Q02127 3/20 0.31
CDK9 P50750 1/20 0.30
DYRK1A Q13627 1/20 0.30
DYRK2 Q92630 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
SCHEMBL28865796 0.88 AR (0.31) LMNA
SCHEMBL10319231 0.85 DHODH (0.40) KMT2AMAPTNPC1RAB9AKDM4E
SCHEMBL16362419 0.80 DHODH (0.36) KMT2AMAPTNPC1RAB9AKDM4E
SCHEMBL24513499 0.79 TACR3 (0.36) KMT2AMAPTNPC1RAB9AKDM4E
SCHEMBL17680359 0.78 TLR8 (0.39) KMT2AMAPTNPC1RAB9AKDM4E
SCHEMBL13731884 0.78 GRM2 (0.35) KMT2AMAPTNPC1RAB9AALDH1A1
SCHEMBL13732292 0.77 NOS3 (0.39) KMT2AMAPTKDM4EMEN1ALDH1A1
SCHEMBL20809038 0.76 LMNA (0.37) KMT2ANPC1RAB9ALMNANR1I3
SCHEMBL17666818 0.76 CDK9 (0.35) KMT2AMAPTNPC1RAB9AKDM4E
SCHEMBL16338555 0.76 DHODH (0.38) MAPTALDH1A1DHODH

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-115304647-A Organic electroluminescent material and device 环球展览公司 2022-11-08 CN disclosed
CN-115216291-A Organic electroluminescent material and device 环球展览公司 2022-10-21 CN disclosed