SCHEMBL6800779

SCHEMBL6800779

N#Cc1ccc(N(Cc2ccc(O)cc2)C(=O)c2cccs2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
NPC1 O15118 1/20 0.52
PDK1 Q15118 4/20 0.51
PDK2 Q15119 1/20 0.51
PDK3 Q15120 1/20 0.51
PDK4 Q16654 1/20 0.51
ALDH1A1 P00352 4/20 0.46
POLB P06746 1/20 0.46
CYP19A1 P11511 1/20 0.44
NPSR1 Q6W5P4 3/20 0.43
NSD2 O96028 1/20 0.41
NSD3 Q9BZ95 1/20 0.41
LMNA P02545 3/20 0.40
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 2/20 0.40
USP2 O75604 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL27545499 0.89 MEN1 (0.54) MEN1KMT2ANPC1PDK1PDK2
SCHEMBL6801408 0.83 MEN1 (0.55) MEN1KMT2ANPC1PDK1PDK2
SCHEMBL6799435 0.81 MEN1 (0.72) MEN1KMT2ANPC1PDK1PDK2
SCHEMBL6802630 0.81 MEN1 (0.55) MEN1KMT2ANPC1PDK1PDK2
SCHEMBL6802291 0.80 MEN1 (0.76) MEN1KMT2ANPC1PDK1PDK2
SCHEMBL6798512 0.79 MEN1 (0.55) MEN1KMT2ANPC1PDK1PDK2
SCHEMBL28310730 0.78 MEN1 (0.63) MEN1KMT2ANPC1ALDH1A1POLB
SCHEMBL28311575 0.78 KMT2A (0.63) MEN1KMT2ANPC1ALDH1A1NPSR1
SCHEMBL28627387 0.76 MEN1 (0.76) MEN1KMT2ANPC1PDK1ALDH1A1
SCHEMBL6799801 0.74 GAA (0.62) MEN1KMT2ANPC1PDK1PDK2

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-6762205-B1 STEROID SULFATASE INHIBITORS WITHOUT ESTROGENIC SIDE EFFECT ACTION TEIKOKU HORMONE MFG. CO., LTD. (JP) 2004-07-13 US disclosed
EP-1193250-A1 PHENYL SULFAMATE DERIVATIVES Teikoku Hormone Mfg. Co., Ltd. (JP) 2002-04-03 EP disclosed