SCHEMBL6800966

SCHEMBL6800966

COc1ccc(CN(C)C(=O)c2ccc(C#N)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.71
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
SNCA P37840 1/20 0.56
ALDH1A1 P00352 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
LIMK2 P53671 1/20 0.52
VNN1 O95497 1/20 0.51
DRD2 P14416 1/20 0.50
PDK1 Q15118 2/20 0.49
HSD17B2 P37059 1/20 0.49
HSP90AA1 P07900 1/20 0.49
ACHE P22303 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
MMP13 P45452 1/20 0.48
RAB9A P51151 1/20 0.48
MAPK1 P28482 1/20 0.48
NPC1 O15118 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
SCHEMBL9416641 0.89 MEN1 (0.77) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL6796753 0.85 NSD2 (0.77) NSD2MEN1KMT2APDK1HSD17B2
SCHEMBL6799672 0.84 NSD2 (0.64) NSD2MEN1KMT2ALIMK2PDK1
SCHEMBL23015300 0.83 NSD2 (1.00) NSD2MEN1KMT2AALDH1A1HTT
SCHEMBL16585629 0.82 MEN1 (0.68) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL7236313 0.81 NSD2 (0.71) NSD2MEN1KMT2APDK1HSD17B2
SCHEMBL28509474 0.80 MEN1 (0.64) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL6800382 0.79 MCHR1 (0.55) KMT2ASNCAALDH1A1HTTSMN1; SMN2
SCHEMBL7237239 0.79 MMP13 (0.73) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL9416624 0.78 KMT2A (0.89) MEN1KMT2AALDH1A1HTTSMN1; SMN2

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