SCHEMBL9313397

SCHEMBL9313397

CC(C)c1ccc(CN(C)C(=O)c2cccc3ccccc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
ALDH1A1 P00352 1/20 0.50
CTSG P08311 1/20 0.49
HPGD P15428 1/20 0.48
HSP90AA1 P07900 1/20 0.47
FFAR2 O15552 1/20 0.47
F2 P00734 1/20 0.45
F10 P00742 1/20 0.45
F7 P08709 1/20 0.45
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 1/20 0.45
UTS2R Q9UKP6 1/20 0.44
NPC1 O15118 1/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43

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
SCHEMBL28510216 0.82 NR1I2 (0.56) KMT2AMEN1ALDH1A1CTSGHPGD
SCHEMBL9313360 0.79 KMT2A (0.47) KMT2AMEN1ALDH1A1CTSGHPGD
SCHEMBL24131098 0.77 F7 (0.56) KMT2AMEN1CTSGF2F10
SCHEMBL9312693 0.76 PDK1 (0.52) KMT2AMEN1
SCHEMBL18652132 0.75 NR4A1 (0.52) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL15849622 0.74 NR4A1 (0.50) KMT2AMEN1ALDH1A1HPGDHSP90AA1
SCHEMBL29191706 0.73 MEN1 (0.59) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL3792155 0.73 NR4A1 (0.53) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL31060098 0.73 NR4A1 (0.53) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL9313989 0.72 CYP2D6 (0.68) KMT2AMEN1KDM4ESMN1; SMN2LMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE34770-E 1-benzothiophene derivatives; side effect reduction KAKEN PHARMACEUTICAL CO., LTD. (JP) 1994-11-01 US disclosed
US-5334628-A Amine derivatives, processes for preparing the same and fungicides containing the same KAKEN PHARMACEUTICAL CO., LTD. (JP) 1994-08-02 US disclosed
US-5200423-A AMINE DERIVATIVES, PROCESSES FOR PREPARING THE SAME AND FUNGICIDES CONTAINING THE SAME KAKEN PHARMACEUTICAL CO., LTD. (JP) 1993-04-06 US disclosed
US-5106866-A Skin disorders KAKEN PHARMACEUTICAL CO., LTD. (JP) 1992-04-21 US disclosed
US-5021458-A Amine derivatives and fungicides containing the same KAKEN PHARMACEUTICAL CO., LTD. (JP) 1991-06-04 US disclosed
EP-0164697-A2 Amine derivatives, processes for preparing the same and fungicides containing the same Kaken Pharmaceutical Co., Ltd. (JP) 1985-12-18 EP disclosed