SCHEMBL9548045

SCHEMBL9548045

COC(=O)c1ccccc1N=Cc1ccc2c(c1)C(C)(C)C(C)C2(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ATM Q13315 1/20 0.44
KDM4E B2RXH2 10/20 0.44
ALDH1A1 P00352 10/20 0.44
HPGD P15428 9/20 0.44
RAB9A P51151 2/20 0.44
POLB P06746 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 4/20 0.41
GAA P10253 2/20 0.41
USP2 O75604 1/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
HSD17B10 Q99714 3/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL9187214 0.86 MEN1 (0.41) AKR1C3MEN1KMT2AATMKDM4E
SCHEMBL9188304 0.83 MEN1 (0.45) AKR1C3MEN1KMT2AATMKDM4E
SCHEMBL21175054 0.79 KDM4E (0.64) AKR1C3MEN1KMT2AATMKDM4E
SCHEMBL30136428 0.79 KDM4E (0.64) AKR1C3MEN1KMT2AATMKDM4E
SCHEMBL11416407 0.79 KDM4E (0.64) AKR1C3MEN1KMT2AATMKDM4E
SCHEMBL3505309 0.79 KDM4E (0.64) AKR1C3MEN1KMT2AATMKDM4E
SCHEMBL9188923 0.78 KDM4E (0.42) AKR1C3MEN1KMT2AATMKDM4E
SCHEMBL3506330 0.74 KMT2A (0.53) MEN1KMT2AATMKDM4EALDH1A1
SCHEMBL18230843 0.74 KMT2A (0.53) MEN1KMT2AATMKDM4EALDH1A1
SCHEMBL9186245 0.72 RARG (0.40) AKR1C3MEN1KMT2AATMKDM4E

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
US-5264615-A Perfumes or odors GIVAUDAN CORPORATION (US) 1993-11-23 US disclosed