SCHEMBL8666304

SCHEMBL8666304

N#CC1=Cc2ccccc2C1c1ccccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 1/20 0.49
NPC1 O15118 1/20 0.40
TSHR P16473 3/20 0.39
KDM1A O60341 3/20 0.38
KDM1B Q8NB78 1/20 0.38
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
THRB P10828 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CLK2 P49760 1/20 0.36
MAP4K2 Q12851 1/20 0.36
MARK2 Q7KZI7 1/20 0.36
MINK1 Q8N4C8 1/20 0.36
SLK Q9H2G2 1/20 0.36
STK17A Q9UEE5 1/20 0.36
CASP6 P55212 1/20 0.36
MAPT P10636 3/20 0.35

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
SCHEMBL8019760 0.80 CUL4A (0.41) EEF2KKDM1AHTR2CHTR2BALDH1A1
SCHEMBL8012493 0.73 RAB9A (0.39) KDM1AHTR2CHTR2BMEN1KMT2A
SCHEMBL8023485 0.71 MAPT (0.44) NPC1KDM1AALDH1A1KDM4EMEN1
SCHEMBL820278 0.71 PIM1 (0.36) TSHR
SCHEMBL28728207 0.68 LMNA (0.36) EEF2KALDH1A1SMN1; SMN2TDP1
SCHEMBL15572213 0.66 EEF2K (1.00) EEF2KNPC1TSHRALDH1A1KDM4E
SCHEMBL11038883 0.64 HPGD (0.44) TSHRALDH1A1KDM4EMEN1KMT2A
SCHEMBL28773429 0.62 KDM1A (0.50) EEF2KKDM1AKDM1BHTR2CHTR2B
SCHEMBL3213803 0.62 TSHR (0.42) TSHRALDH1A1KDM4EMEN1KMT2A
SCHEMBL3213322 0.60 ADORA2A (0.36) NPC1TSHRALDH1A1KDM4EMEN1

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
EP-0877735-A1 POLYCYCLIC COMPOUNDS University of Strathclyde (GB) 1998-11-18 EP disclosed
WO-1997019929-A1 POLYCYCLIC COMPOUNDS THE UNIVERSITY OF STRATHCLYDE (GB) 1997-06-05 WO disclosed