SCHEMBL9823073

SCHEMBL9823073

CCc1nc2ccc(C(=O)c3ccccc3)cc2nc1CC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.71
MEN1 O00255 3/20 0.71
KMT2A Q03164 3/20 0.71
NPC1 O15118 3/20 0.71
ALDH1A1 P00352 7/20 0.56
MAPT P10636 5/20 0.56
POLB P06746 3/20 0.55
LMNA P02545 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
KDM4E B2RXH2 2/20 0.55
USP2 O75604 1/20 0.55
RECQL P46063 1/20 0.55
BLM P54132 1/20 0.55
MCL1 Q07820 1/20 0.55
HPGD P15428 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TSHR P16473 1/20 0.51
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
ABL1 P00519 1/20 0.48

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
SCHEMBL9823116 0.82 TDP1 (0.69) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL15196669 0.82 RAB9A (0.61) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL9823025 0.80 NPC1 (0.75) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL12336929 0.79 POLB (0.64) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL26261541 0.79 NPC1 (0.73) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL8764992 0.79 RAB9A (0.58) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL10435576 0.78 ALDH1A1 (0.76) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL15665668 0.77 ALDH1A1 (0.73) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL10102371 0.74 GRM1 (0.54) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL10435158 0.73 ALDH1A1 (0.81) RAB9AMEN1KMT2ANPC1ALDH1A1

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
EP-0288898-B1 SUBSTITUTED CHINOXALYL-IMIDAZOLIDINE-2,4-DIONES, PROCESS FOR THEIR PREPARATION, THEIR USE AS MEDICAMENTS AND PHARMACOLOGICAL PREPARATIONS HOECHST AKTIENGESELLSCHAFT (DE) 1991-08-14 EP disclosed
US-4943576-A ENZYME INHIBITORS HOECHST AKTIENGESELLSCHAFT (DE) 1990-07-24 US disclosed