SCHEMBL8816639

SCHEMBL8816639

NC(Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
MEN1 O00255 2/20 0.56
LMNA P02545 2/20 0.56
MAPT P10636 2/20 0.56
BLM P54132 2/20 0.56
KMT2A Q03164 2/20 0.56
MPO P05164 1/20 0.56
TSHR P16473 1/20 0.56
PMP22 Q01453 1/20 0.56
HIF1A Q16665 1/20 0.56
SOS1 Q07889 2/20 0.56
TACR1 P25103 5/20 0.56
TRPV1 Q8NER1 1/20 0.55
GOT1 P17174 1/20 0.53
KCNT1 Q5JUK3 1/20 0.52
POLB P06746 2/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
NLN Q9BYT8 1/20 0.49
KRAS P01116 1/20 0.49

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
SCHEMBL8689451 1.00 KDM4E (0.56) KDM4EMEN1LMNAMAPTBLM
Hydrochloric Acid SCHEMBL8914919 0.89 TACR1 (0.56) KDM4EMEN1LMNAMAPTBLM
Hydrochloric Acid SCHEMBL9402476 0.89 TACR1 (0.56) KDM4EMEN1LMNAMAPTBLM
Trifluoroacetic Acid SCHEMBL14762748 0.88 MAPT (0.60) KDM4EMEN1LMNAMAPTBLM
SCHEMBL10691172 0.88 MAPT (0.60) KDM4EMEN1LMNAMAPTBLM
SCHEMBL901463 0.87 MAPT (0.69) KDM4EMEN1LMNAMAPTBLM
SCHEMBL30736497 0.87 MAPT (0.69) KDM4EMEN1LMNAMAPTBLM
SCHEMBL8820084 0.86 KMT2A (0.53) KDM4EMEN1LMNAMAPTBLM
SCHEMBL8820097 0.86 KMT2A (0.53) KDM4EMEN1LMNAMAPTBLM
Hydrochloric Acid SCHEMBL9834221 0.86 MAPT (0.67) KDM4EMEN1LMNAMAPTBLM

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