SCHEMBL11295802

SCHEMBL11295802

Cn1nc(Cc2ccccc2)nc1CCl

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.49
KDM4C Q9H3R0 1/20 0.49
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ADCY10 Q96PN6 3/20 0.39
HTR6 P50406 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
LMNA P02545 1/20 0.37
LTB4R Q15722 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL11296201 0.85 HTR6 (0.41) TDP2KDM4CALDH1A1ADCY10HTR6
SCHEMBL14415474 0.85 TDP2 (0.50) TDP2KDM4CALDH1A1TSHRNR1H2
SCHEMBL31201754 0.76 TDP2 (0.51) TDP2KDM4CALDH1A1TSHRNR1H2
SCHEMBL11330915 0.70 PKM (0.45) ALDH1A1MEN1KMT2ALMNALTB4R
SCHEMBL17231383 0.70 ADRB2 (0.44) TDP2KDM4CTSHRNR1H2NR1H3
SCHEMBL31201752 0.69 RXFP1 (0.41) TDP2KDM4CALDH1A1TSHRMEN1
SCHEMBL11583604 0.69 KDM4E (0.51) ALDH1A1ADCY10HTR6HRH4LMNA
SCHEMBL2614741 0.66 CALM1 (0.61) ALDH1A1TSHRMEN1KMT2AHTR6
SCHEMBL553847 0.66 KLKB1 (0.53) TDP2KDM4CNR1H2NR1H3ADCY10
SCHEMBL6969973 0.66 NR1H3 (0.58) KDM4CNR1H2NR1H3

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-0065217-A2 5-Haloalkyl-1,2,4-triazole and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1982-11-24 EP disclosed