SCHEMBL8689596

SCHEMBL8689596

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.63
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
MAPT P10636 2/20 0.60
KDM4E B2RXH2 1/20 0.60
LMNA P02545 1/20 0.60
MPO P05164 1/20 0.60
TSHR P16473 1/20 0.60
BLM P54132 1/20 0.60
PMP22 Q01453 1/20 0.60
HIF1A Q16665 1/20 0.60
BRS3 P32247 2/20 0.57
SOS1 Q07889 3/20 0.57
GABRP O00591 1/20 0.56
GABRD O14764 1/20 0.56
POLB P06746 1/20 0.56
GABRA1 P14867 1/20 0.56
GABRB1 P18505 1/20 0.56
GABRG2 P18507 1/20 0.56
GABRB3 P28472 1/20 0.56

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
SCHEMBL8689585 1.00 HDAC8 (0.63) HDAC8MEN1KMT2AMAPTKDM4E
SCHEMBL30736497 0.90 MAPT (0.69) HDAC8MEN1KMT2AMAPTKDM4E
SCHEMBL901463 0.90 MAPT (0.69) HDAC8MEN1KMT2AMAPTKDM4E
Hydrochloric Acid SCHEMBL9834221 0.89 MAPT (0.67) HDAC8MEN1KMT2AMAPTKDM4E
SCHEMBL8689768 0.88 MAPT (0.63) HDAC8MEN1KMT2AMAPTKDM4E
SCHEMBL10691172 0.88 MAPT (0.60) HDAC8MEN1KMT2AMAPTKDM4E
SCHEMBL8689774 0.88 MAPT (0.63) HDAC8MEN1KMT2AMAPTKDM4E
SCHEMBL7613225 0.88 KMT2A (0.60) HDAC8MEN1KMT2AMAPTKDM4E
SCHEMBL8690029 0.88 HDAC8 (0.60) HDAC8MEN1KMT2AMAPTKDM4E
SCHEMBL8690022 0.88 HDAC8 (0.60) HDAC8MEN1KMT2AMAPTKDM4E

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
US-5792760-A USEFUL IN TREATMENT OF PSYCHOLOGICAL AND CENTRAL NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1998-08-11 US disclosed
WO-1997038692-A1 BISINDOLES FOR TREATING PAIN OR NOCICEPTION ELI LILLY AND COMPANY (US) 1997-10-23 WO disclosed