SCHEMBL5599778

SCHEMBL5599778

C=CCC1c2ccccc2C2(CCNCC2)CN1C(=O)c1cccnc1SC

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.34
ALDH1A1 P00352 5/20 0.34
L3MBTL1 Q9Y468 4/20 0.34
RAB9A P51151 2/20 0.34
TSHR P16473 2/20 0.34
CASP3 P42574 2/20 0.34
SENP8 Q96LD8 2/20 0.34
SENP7 Q9BQF6 2/20 0.34
SENP6 Q9GZR1 2/20 0.34
GPR6 P46095 1/20 0.33
SLC6A9 P48067 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
USP2 O75604 1/20 0.32
HTT P42858 1/20 0.32
NPC1 O15118 1/20 0.32
GLA P06280 1/20 0.32

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
SCHEMBL5599143 0.91 CYP2C9 (0.37) ALDH1A1
SCHEMBL5599341 0.82 TSHR (0.33) KMT2AMEN1ALDH1A1TSHRKDM4E
SCHEMBL5599440 0.77 MCHR2 (0.33) KMT2AMEN1KDM4EUSP2
SCHEMBL5599671 0.77 KMT2A (0.33) KMT2AMEN1LMNA
SCHEMBL5599346 0.75 KMT2A (0.37) KMT2A
SCHEMBL5599653 0.72 KMT2A (0.41) KMT2AMEN1ALDH1A1L3MBTL1RAB9A
SCHEMBL5785804 0.69 KMT2A (0.36) KMT2AMEN1ALDH1A1L3MBTL1RAB9A
SCHEMBL5578682 0.69 KMT2A (0.47) KMT2AMEN1ALDH1A1L3MBTL1RAB9A
SCHEMBL3997885 0.66 KMT2A (0.44) KMT2AMEN1ALDH1A1L3MBTL1RAB9A
SCHEMBL5635880 0.66 GRIN2B (0.44) KMT2AMEN1KDM4E

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-2005063745-A9 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARM INC (US) 2007-02-01 WO claimed