SCHEMBL8820097

SCHEMBL8820097

NC(Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(C(F)(F)F)c(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MAPT P10636 2/20 0.53
MEN1 O00255 2/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
MPO P05164 1/20 0.53
TSHR P16473 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
HIF1A Q16665 1/20 0.53
HDAC8 Q9BY41 1/20 0.50
SOS1 Q07889 3/20 0.49
TACR1 P25103 2/20 0.48
POLB P06746 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
KCNT1 Q5JUK3 1/20 0.47
NLN Q9BYT8 1/20 0.47
KRAS P01116 1/20 0.47
BCHE P06276 2/20 0.47
ACHE P22303 2/20 0.47

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
SCHEMBL8820084 1.00 KMT2A (0.53) KMT2AMAPTMEN1KDM4ELMNA
SCHEMBL8816639 0.86 KDM4E (0.56) KMT2AMAPTMEN1KDM4ELMNA
SCHEMBL8819723 0.86 MEN1 (0.62) KMT2AMAPTMEN1KDM4ELMNA
SCHEMBL8689451 0.86 KDM4E (0.56) KMT2AMAPTMEN1KDM4ELMNA
SCHEMBL8819734 0.86 MEN1 (0.62) KMT2AMAPTMEN1KDM4ELMNA
Hydrochloric Acid SCHEMBL9402476 0.84 TACR1 (0.56) KMT2AMAPTMEN1KDM4ELMNA
Hydrochloric Acid SCHEMBL8914919 0.84 TACR1 (0.56) KMT2AMAPTMEN1KDM4ELMNA
Trifluoroacetic Acid SCHEMBL14762748 0.83 MAPT (0.60) KMT2AMAPTMEN1KDM4ELMNA
SCHEMBL10691172 0.83 MAPT (0.60) KMT2AMAPTMEN1KDM4ELMNA
SCHEMBL30736497 0.82 MAPT (0.69) KMT2AMAPTMEN1KDM4ELMNA

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
WO-1997038692-A1 BISINDOLES FOR TREATING PAIN OR NOCICEPTION ELI LILLY AND COMPANY (US) 1997-10-23 WO disclosed