SCHEMBL7961007

SCHEMBL7961007

CCCOc1ccc(F)cc1C(=N)N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 3/20 0.46
HTR2C P28335 2/20 0.46
HTR2A P28223 1/20 0.46
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 3/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
CASP1 P29466 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL7959110 0.84 MAPT (0.54) HTR2BHTR2CHTR2AKDM4ELMNA
SCHEMBL2562274 0.83 PRSS1 (0.57) PRSS1F2PLAUST14
SCHEMBL2567834 0.83 KDM4E (0.44) KDM4ELMNANPC1HPGDRAB9A
SCHEMBL16952405 0.82 HTR2C (0.46) HTR2BHTR2CHTR2AKDM4ELMNA
SCHEMBL7962802 0.81 HTR2C (0.46) HTR2BHTR2CKDM4ELMNANPC1
SCHEMBL2568322 0.81 SMN1; SMN2 (0.59) KDM4ELMNANPC1HPGDRAB9A
SCHEMBL2566716 0.80 LMNA (0.55) HTR2BKDM4ELMNASMN1; SMN2MAPT
SCHEMBL7962020 0.80 PRSS1 (0.47) KDM4ELMNANPC1HPGDRAB9A
SCHEMBL7963098 0.80 HTR2C (0.40) HTR2BHTR2CHTR2AKDM4ELMNA
SCHEMBL16957920 0.79 HTR2C (0.44) HTR2BHTR2CHTR2AKDM4EHPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6200980-B1 ADMINISTERING PHENYL PURINONE COMPOUND FOR TREATING PRECANCEROUS LEISONS CELL PATHWAYS, INC. 2001-03-13 US disclosed
EP-0352960-B1 Purine compounds, process for their preparation and pharmaceutical compositions SMITH KLINE FRENCH LAB (GB) 1994-10-26 EP disclosed
US-5073559-A 2-Substituted purinone having phosphodiesterase inhibitory activity SMITH KLINE & FRENCH LABORATORIES, LTD. (GB) 1991-12-17 US disclosed
EP-0352960-A2 Purine compounds, process for their preparation and pharmaceutical compositions SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-01-31 EP disclosed