SCHEMBL6796753

SCHEMBL6796753

CN(Cc1ccc(O)cc1)C(=O)c1ccc(C#N)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 2/20 0.77
PDK1 Q15118 2/20 0.56
PDK2 Q15119 1/20 0.56
PDK3 Q15120 1/20 0.56
PDK4 Q16654 1/20 0.56
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPC1 O15118 1/20 0.51
HSD17B1 P14061 2/20 0.49
HSD17B2 P37059 2/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
CA12 O43570 1/20 0.47
CA2 P00918 1/20 0.47
CA3 P07451 1/20 0.47
CA6 P23280 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
ESRRG P62508 1/20 0.47
ACACB O00763 1/20 0.46

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
SCHEMBL9416557 0.87 HDAC1 (0.59) NSD2PDK1PDK2PDK3PDK4
SCHEMBL23015300 0.87 NSD2 (1.00) NSD2PDK1PDK2PDK3PDK4
SCHEMBL7329778 0.86 ESRRG (0.65) NSD2PDK1PDK2PDK3PDK4
SCHEMBL6800966 0.85 NSD2 (0.71) NSD2PDK1MEN1KMT2ANPC1
SCHEMBL7236313 0.84 NSD2 (0.71) NSD2PDK1PDK2PDK3PDK4
SCHEMBL6799435 0.81 MEN1 (0.72) NSD2PDK1PDK2PDK3PDK4
SCHEMBL2921609 0.80 KMT2A (0.68) MEN1KMT2ANPC1HSD17B1HSD17B2
SCHEMBL6799672 0.79 NSD2 (0.64) NSD2PDK1MEN1KMT2ACA12
SCHEMBL5118098 0.79 NSD2 (0.63) NSD2MEN1KMT2ANPC1CA12
SCHEMBL5317577 0.78 NSD2 (0.61) NSD2MEN1KMT2ANPC1HSD17B1

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