SCHEMBL9313360

SCHEMBL9313360

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.45
CTSG P08311 1/20 0.44
NR1I2 O75469 1/20 0.44
LMNA P02545 1/20 0.44
ADRA2A P08913 1/20 0.44
CYP2D6 P10635 1/20 0.44
ACHE P22303 1/20 0.44
SLC6A2 P23975 1/20 0.44
HTR2A P28223 1/20 0.44
SLC6A4 P31645 1/20 0.44
KCNH2 Q12809 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
RIPK1 Q13546 1/20 0.43
MAPT P10636 1/20 0.43
FFAR2 O15552 1/20 0.42
TACR1 P25103 1/20 0.42
HDAC1 Q13547 1/20 0.41

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 0.89 NR1I2 (0.56) KMT2AMEN1ALDH1A1HPGDCTSG
SCHEMBL9313397 0.79 KMT2A (0.50) KMT2AMEN1ALDH1A1HPGDCTSG
SCHEMBL9313576 0.78 PDK1 (0.49) KMT2AMEN1HPGDNR1I2LMNA
SCHEMBL18652132 0.75 NR4A1 (0.52) KMT2AMEN1ALDH1A1HPGDLMNA
SCHEMBL18650130 0.74 NR4A1 (0.47) KMT2AMEN1ALDH1A1HPGDLMNA
SCHEMBL9312678 0.74 CYP2D6 (0.78) KMT2AMEN1NR1I2LMNAADRA2A
Hydrochloric Acid SCHEMBL9314916 0.73 LMNA (0.76) KMT2AMEN1ALDH1A1NR1I2LMNA
SCHEMBL9314839 0.72 KMT2A (0.45) KMT2AMEN1ALDH1A1HPGDNR1I2
SCHEMBL24131098 0.71 F7 (0.56) KMT2AMEN1CTSG
SCHEMBL15849622 0.71 NR4A1 (0.50) KMT2AMEN1ALDH1A1HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1051702-C Preparing process of amine derivative and fungusicide containing amine derivative SCIENT RESEARCH AND PHARMACEUT (JP) 2000-04-26 CN disclosed
US-RE34770-E 1-benzothiophene derivatives; side effect reduction KAKEN PHARMACEUTICAL CO., LTD. (JP) 1994-11-01 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-B1 AMINE DERIVATIVES, PROCESSES FOR PREPARING THE SAME AND FUNGICIDES CONTAINING THE SAME Kaken Pharmaceutical Co., Ltd. (JP) 1990-11-07 EP 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